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

Systemtic Name: 6,7-dimethyl-2-[[1-(3-naphthalen-1-ylpropyl)azocan-3-yl]methyl]-3,4-dihydroisoquinolin-1-one Openeye Name: 6,7-dimethyl-2-[[1-[3-(1-naphthyl)propyl]azocan-3-yl]methyl]-3,4-dihydroisoquinolin-1-one CAS Name: 6,7-dimethyl-2-[[1-[3-(1-naphthalenyl)propyl]-3-azocanyl]methyl]-3,4-dihydroisoquinolin-1-one IUPAC Name: 6,7-dimethyl-2-[[1-(3-naphthalen-1-ylpropyl)azocan-3-yl]methyl]-3,4-dihydroisoquinolin-1-one Traditional Name: 6,7-dimethyl-2-[[1-[3-(1-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=CC=CC5=CC=CC=C54)C

Isomeric SMILES

CC1=C(C=C2C(=C1)CCN(C2=O)CC3CCCCCN(C3)CCCC4=CC=CC5=CC=CC=C54)C

InChI

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