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

Systemtic Name: 2-[[1-[3-(6-methoxynaphthalen-1-yl)-2-oxidanyl-propyl]azocan-3-yl]methyl]-6,7-dimethyl-3,4-dihydroisoquinolin-1-one Openeye Name: 2-[[1-[2-hydroxy-3-(6-methoxy-1-naphthyl)propyl]azocan-3-yl]methyl]-6,7-dimethyl-3,4-dihydroisoquinolin-1-one CAS Name: 2-[[1-[2-hydroxy-3-(6-methoxy-1-naphthalenyl)propyl]-3-azocanyl]methyl]-6,7-dimethyl-3,4-dihydroisoquinolin-1-one IUPAC Name: 2-[[1-[2-hydroxy-3-(6-methoxynaphthalen-1-yl)propyl]azocan-3-yl]methyl]-6,7-dimethyl-3,4-dihydroisoquinolin-1-one Traditional Name: 2-[[1-[2-hydroxy-3-(6-methoxy-1-naphthyl)propyl]azocan-3-yl]methyl]-6,7-dimethyl-3,4-dihydroisocarbostyril Formula: C33H42N2O3 MolecularWeight: 514.69818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)CCN(C2=O)CC3CCCCCN(C3)CC(CC4=CC=CC5=C4C=CC(=C5)OC)O)C

Isomeric SMILES

CC1=C(C=C2C(=C1)CCN(C2=O)CC3CCCCCN(C3)CC(CC4=CC=CC5=C4C=CC(=C5)OC)O)C

InChI

InChI=1S/C33H42N2O3/c1-23-16-28-13-15-35(33(37)32(28)17-24(23)2)21-25-8-5-4-6-14-34(20-25)22-29(36)18-26-9-7-10-27-19-30(38-3)11-12-31(26)27/h7,9-12,16-17,19,25,29,36H,4-6,8,13-15,18,20-22H2,1-3H3