6,7-dimethyl-2-[[1-(2-naphthalen-1-ylethyl)azepan-3-yl]methyl]-3,4-dihydro-1H-isoquinoline

Systemtic Name: 6,7-dimethyl-2-[[1-(2-naphthalen-1-ylethyl)azepan-3-yl]methyl]-3,4-dihydro-1H-isoquinoline Openeye Name: 6,7-dimethyl-2-[[1-[2-(1-naphthyl)ethyl]azepan-3-yl]methyl]-3,4-dihydro-1H-isoquinoline CAS Name: 6,7-dimethyl-2-[[1-[2-(1-naphthalenyl)ethyl]-3-azepanyl]methyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 6,7-dimethyl-2-[[1-(2-naphthalen-1-ylethyl)azepan-3-yl]methyl]-3,4-dihydro-1H-isoquinoline Traditional Name: 6,7-dimethyl-2-[[1-[2-(1-naphthyl)ethyl]azepan-3-yl]methyl]-3,4-dihydro-1H-isoquinoline Formula: C30H38N2 MolecularWeight: 426.63612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2CN(CCC2=C1)CC3CCCCN(C3)CCC4=CC=CC5=CC=CC=C54)C

Isomeric SMILES

CC1=C(C=C2CN(CCC2=C1)CC3CCCCN(C3)CCC4=CC=CC5=CC=CC=C54)C

InChI

InChI=1S/C30H38N2/c1-23-18-28-14-17-32(22-29(28)19-24(23)2)21-25-8-5-6-15-31(20-25)16-13-27-11-7-10-26-9-3-4-12-30(26)27/h3-4,7,9-12,18-19,25H,5-6,8,13-17,20-22H2,1-2H3