6,7-dimethoxy-2-[[1-(4-naphthalen-1-yl-2-oxidanyl-butyl)piperidin-3-yl]methyl]-3,4-dihydroisoquinolin-1-one

Systemtic Name: 6,7-dimethoxy-2-[[1-(4-naphthalen-1-yl-2-oxidanyl-butyl)piperidin-3-yl]methyl]-3,4-dihydroisoquinolin-1-one Openeye Name: 2-[[1-[2-hydroxy-4-(1-naphthyl)butyl]-3-piperidyl]methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-1-one CAS Name: 2-[[1-[2-hydroxy-4-(1-naphthalenyl)butyl]-3-piperidinyl]methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-1-one IUPAC Name: 2-[[1-(2-hydroxy-4-naphthalen-1-ylbutyl)piperidin-3-yl]methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-1-one Traditional Name: 2-[[1-[2-hydroxy-4-(1-naphthyl)butyl]-3-piperidyl]methyl]-6,7-dimethoxy-3,4-dihydroisocarbostyril Formula: C31H38N2O4 MolecularWeight: 502.64442

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CCN(C2=O)CC3CCCN(C3)CC(CCC4=CC=CC5=CC=CC=C54)O)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)CCN(C2=O)CC3CCCN(C3)CC(CCC4=CC=CC5=CC=CC=C54)O)OC

InChI

InChI=1S/C31H38N2O4/c1-36-29-17-25-14-16-33(31(35)28(25)18-30(29)37-2)20-22-7-6-15-32(19-22)21-26(34)13-12-24-10-5-9-23-8-3-4-11-27(23)24/h3-5,8-11,17-18,22,26,34H,6-7,12-16,19-21H2,1-2H3