6,7-dimethyl-2-[[1-(3-naphthalen-2-ylpropyl)azocan-3-yl]methyl]-3,4-dihydroisoquinolin-1-one

Systemtic Name: 6,7-dimethyl-2-[[1-(3-naphthalen-2-ylpropyl)azocan-3-yl]methyl]-3,4-dihydroisoquinolin-1-one Openeye Name: 6,7-dimethyl-2-[[1-[3-(2-naphthyl)propyl]azocan-3-yl]methyl]-3,4-dihydroisoquinolin-1-one CAS Name: 6,7-dimethyl-2-[[1-[3-(2-naphthalenyl)propyl]-3-azocanyl]methyl]-3,4-dihydroisoquinolin-1-one IUPAC Name: 6,7-dimethyl-2-[[1-(3-naphthalen-2-ylpropyl)azocan-3-yl]methyl]-3,4-dihydroisoquinolin-1-one Traditional Name: 6,7-dimethyl-2-[[1-[3-(2-naphthyl)propyl]azocan-3-yl]methyl]-3,4-dihydroisocarbostyril Formula: C32H40N2O MolecularWeight: 468.6728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)CCN(C2=O)CC3CCCCCN(C3)CCCC4=CC5=CC=CC=C5C=C4)C

Isomeric SMILES

CC1=C(C=C2C(=C1)CCN(C2=O)CC3CCCCCN(C3)CCCC4=CC5=CC=CC=C5C=C4)C

InChI

InChI=1S/C32H40N2O/c1-24-19-30-15-18-34(32(35)31(30)20-25(24)2)23-27-9-4-3-7-16-33(22-27)17-8-10-26-13-14-28-11-5-6-12-29(28)21-26/h5-6,11-14,19-21,27H,3-4,7-10,15-18,22-23H2,1-2H3