6,7-dimethoxy-2-[[1-[3-(5-oxidanyl-1H-indol-3-yl)propyl]pyrrolidin-3-yl]methyl]-3,4-dihydroisoquinolin-1-one

Systemtic Name: 6,7-dimethoxy-2-[[1-[3-(5-oxidanyl-1H-indol-3-yl)propyl]pyrrolidin-3-yl]methyl]-3,4-dihydroisoquinolin-1-one Openeye Name: 2-[[1-[3-(5-hydroxy-1H-indol-3-yl)propyl]pyrrolidin-3-yl]methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-1-one CAS Name: 2-[[1-[3-(5-hydroxy-1H-indol-3-yl)propyl]-3-pyrrolidinyl]methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-1-one IUPAC Name: 2-[[1-[3-(5-hydroxy-1H-indol-3-yl)propyl]pyrrolidin-3-yl]methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-1-one Traditional Name: 2-[[1-[3-(5-hydroxy-1H-indol-3-yl)propyl]pyrrolidin-3-yl]methyl]-6,7-dimethoxy-3,4-dihydroisocarbostyril Formula: C27H33N3O4 MolecularWeight: 463.56862

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CCN(C2=O)CC3CCN(C3)CCCC4=CNC5=C4C=C(C=C5)O)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)CCN(C2=O)CC3CCN(C3)CCCC4=CNC5=C4C=C(C=C5)O)OC

InChI

InChI=1S/C27H33N3O4/c1-33-25-12-19-8-11-30(27(32)23(19)14-26(25)34-2)17-18-7-10-29(16-18)9-3-4-20-15-28-24-6-5-21(31)13-22(20)24/h5-6,12-15,18,28,31H,3-4,7-11,16-17H2,1-2H3