小分子和化合物库

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显示第112个,产品总数57

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  1. DH 97
    CAS号 : 343263-95-6        Compound CID : 3467177
    分子式: C22H26N2O        分子量: 334.46
    IUPAC Name: N-[2-(2-benzyl-1H-indol-3-yl)ethyl]pentanamide
    SMILES: CCCCC(=O)NCCC1=C(NC2=CC=CC=C21)CC3=CC=CC=C3
    InChIKey: HDOIPCLEKCEANF-UHFFFAOYSA-N
    InChI: InChI=1S/C22H26N2O/c1-2-3-13-22(25)23-15-14-19-18-11-7-8-12-20(18)24-21(19)16-17-9-5-4-6-10-17/h4-12,24H,2-3,13-16H2,1H3,(H,23,25)
  2. 阿戈美拉汀
    CAS号 : 138112-76-2        Compound CID : 82148
    分子式: C15H17NO2        分子量: 243.3
    IUPAC Name: N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide
    SMILES: CC(=O)NCCC1=CC=CC2=C1C=C(C=C2)OC
    InChIKey: YJYPHIXNFHFHND-UHFFFAOYSA-N
    InChI: InChI=1S/C15H17NO2/c1-11(17)16-9-8-13-5-3-4-12-6-7-14(18-2)10-15(12)13/h3-7,10H,8-9H2,1-2H3,(H,16,17)
  3. N-乙酰基-2-苄基色胺
    CAS号 : 117946-91-5        Compound CID : 122162
    分子式: C19H20N2O        分子量: 292.37
    IUPAC Name: N-[2-(2-benzyl-1H-indol-3-yl)ethyl]acetamide
    SMILES: CC(=O)NCCC1=C(NC2=CC=CC=C21)CC3=CC=CC=C3
    InChIKey: WVVXBPKOIZGVNS-UHFFFAOYSA-N
    InChI: InChI=1S/C19H20N2O/c1-14(22)20-12-11-17-16-9-5-6-10-18(16)21-19(17)13-15-7-3-2-4-8-15/h2-10,21H,11-13H2,1H3,(H,20,22)
  4. 褪黑素
    CAS号 : 73-31-4        Compound CID : 896
    分子式: C13H16N2O2        分子量: 232.28
    IUPAC Name: N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
    SMILES: CC(=O)NCCC1=CNC2=C1C=C(C=C2)OC
    InChIKey: DRLFMBDRBRZALE-UHFFFAOYSA-N
    InChI: InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)
  5. 雷美替胺
    CAS号 : 196597-26-9        Compound CID : 208902
    分子式: C16H21NO2        分子量: 259.34
    IUPAC Name: N-[2-[(8S)-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]propanamide
    SMILES: CCC(=O)NCCC1CCC2=C1C3=C(C=C2)OCC3
    InChIKey: YLXDSYKOBKBWJQ-LBPRGKRZSA-N
    InChI: InChI=1S/C16H21NO2/c1-2-15(18)17-9-7-12-4-3-11-5-6-14-13(16(11)12)8-10-19-14/h5-6,12H,2-4,7-10H2,1H3,(H,17,18)/t12-/m0/s1
  6. 6-羟基褪黑激素
    CAS号 : 2208-41-5        Compound CID : 1864
    分子式: C13H16N2O3        分子量: 248.28
    IUPAC Name: N-[2-(6-hydroxy-5-methoxy-1H-indol-3-yl)ethyl]acetamide
    SMILES: CC(=O)NCCC1=CNC2=CC(=C(C=C21)OC)O
    InChIKey: OMYMRCXOJJZYKE-UHFFFAOYSA-N
    InChI: InChI=1S/C13H16N2O3/c1-8(16)14-4-3-9-7-15-11-6-12(17)13(18-2)5-10(9)11/h5-7,15,17H,3-4H2,1-2H3,(H,14,16)
  7. 他司美琼
    CAS号 : 609799-22-6        Compound CID : 10220503
    分子式: C15H19NO2        分子量: 245.322
    IUPAC Name: N-[[(1R,2R)-2-(2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]methyl]propanamide
    SMILES: CCC(=O)NCC1CC1C2=C3CCOC3=CC=C2
    InChIKey: PTOIAAWZLUQTIO-GXFFZTMASA-N
    InChI: InChI=1S/C15H19NO2/c1-2-15(17)16-9-10-8-13(10)11-4-3-5-14-12(11)6-7-18-14/h3-5,10,13H,2,6-9H2,1H3,(H,16,17)/t10-,13+/m0/s1
  8. 4-P-PDOT,MT 2褪黑激素受体拮抗剂
    CAS号 : 134865-74-0        Compound CID : 3976006
    分子式: C19H21NO        分子量: 279.38
    IUPAC Name: N-(4-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl)propanamide
    SMILES: CCC(=O)NC1CC(C2=CC=CC=C2C1)C3=CC=CC=C3
    InChIKey: RCYLUNPFECYGDW-UHFFFAOYSA-N
    InChI: InChI=1S/C19H21NO/c1-2-19(21)20-16-12-15-10-6-7-11-17(15)18(13-16)14-8-4-3-5-9-14/h3-11,16,18H,2,12-13H2,1H3,(H,20,21)
  9. 2-碘褪黑激素(2-Iodomelatonin)
    CAS号 : 93515-00-5        Compound CID : 115348
    分子式: C13H15IN2O2        分子量: 358.18
    IUPAC Name: N-[2-(2-iodo-5-methoxy-1H-indol-3-yl)ethyl]acetamide
    SMILES: CC(=O)NCCC1=C(NC2=C1C=C(C=C2)OC)I
    InChIKey: FJDDSMSDZHURBJ-UHFFFAOYSA-N
    InChI: InChI=1S/C13H15IN2O2/c1-8(17)15-6-5-10-11-7-9(18-2)3-4-12(11)16-13(10)14/h3-4,7,16H,5-6H2,1-2H3,(H,15,17)
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