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

Systemtic Name: 6,7-dimethyl-2-[[1-(2-naphthalen-2-ylethyl)azocan-3-yl]methyl]-3,4-dihydroisoquinolin-1-one Openeye Name: 6,7-dimethyl-2-[[1-[2-(2-naphthyl)ethyl]azocan-3-yl]methyl]-3,4-dihydroisoquinolin-1-one CAS Name: 6,7-dimethyl-2-[[1-[2-(2-naphthalenyl)ethyl]-3-azocanyl]methyl]-3,4-dihydroisoquinolin-1-one IUPAC Name: 6,7-dimethyl-2-[[1-(2-naphthalen-2-ylethyl)azocan-3-yl]methyl]-3,4-dihydroisoquinolin-1-one Traditional Name: 6,7-dimethyl-2-[[1-[2-(2-naphthyl)ethyl]azocan-3-yl]methyl]-3,4-dihydroisocarbostyril Formula: C31H38N2O MolecularWeight: 454.64622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)CCN(C2=O)CC3CCCCCN(C3)CCC4=CC5=CC=CC=C5C=C4)C

Isomeric SMILES

CC1=C(C=C2C(=C1)CCN(C2=O)CC3CCCCCN(C3)CCC4=CC5=CC=CC=C5C=C4)C

InChI

InChI=1S/C31H38N2O/c1-23-18-29-14-17-33(31(34)30(29)19-24(23)2)22-26-8-4-3-7-15-32(21-26)16-13-25-11-12-27-9-5-6-10-28(27)20-25/h5-6,9-12,18-20,26H,3-4,7-8,13-17,21-22H2,1-2H3