6,7-dimethoxy-2-[[1-[3-(6-methoxynaphthalen-1-yl)-2-oxidanyl-propyl]azocan-3-yl]methyl]-3,4-dihydroisoquinolin-1-one

Systemtic Name: 6,7-dimethoxy-2-[[1-[3-(6-methoxynaphthalen-1-yl)-2-oxidanyl-propyl]azocan-3-yl]methyl]-3,4-dihydroisoquinolin-1-one Openeye Name: 2-[[1-[2-hydroxy-3-(6-methoxy-1-naphthyl)propyl]azocan-3-yl]methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-1-one CAS Name: 2-[[1-[2-hydroxy-3-(6-methoxy-1-naphthalenyl)propyl]-3-azocanyl]methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-1-one IUPAC Name: 2-[[1-[2-hydroxy-3-(6-methoxynaphthalen-1-yl)propyl]azocan-3-yl]methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-1-one Traditional Name: 2-[[1-[2-hydroxy-3-(6-methoxy-1-naphthyl)propyl]azocan-3-yl]methyl]-6,7-dimethoxy-3,4-dihydroisocarbostyril Formula: C33H42N2O5 MolecularWeight: 546.69698

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC=C2)CC(CN3CCCCCC(C3)CN4CCC5=CC(=C(C=C5C4=O)OC)OC)O

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC=C2)CC(CN3CCCCCC(C3)CN4CCC5=CC(=C(C=C5C4=O)OC)OC)O

InChI

InChI=1S/C33H42N2O5/c1-38-28-11-12-29-24(9-7-10-25(29)17-28)16-27(36)22-34-14-6-4-5-8-23(20-34)21-35-15-13-26-18-31(39-2)32(40-3)19-30(26)33(35)37/h7,9-12,17-19,23,27,36H,4-6,8,13-16,20-22H2,1-3H3