N-[2-(azepan-1-yl)ethyl]-6,7-dimethoxy-1-(2-methylphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide

Systemtic Name: N-[2-(azepan-1-yl)ethyl]-6,7-dimethoxy-1-(2-methylphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide Openeye Name: N-[2-(azepan-1-yl)ethyl]-6,7-dimethoxy-1-(o-tolyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide CAS Name: N-[2-(1-azepanyl)ethyl]-6,7-dimethoxy-1-(2-methylphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide IUPAC Name: N-[2-(azepan-1-yl)ethyl]-6,7-dimethoxy-1-(2-methylphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide Traditional Name: N-[2-(azepan-1-yl)ethyl]-6,7-dimethoxy-1-(o-tolyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide Formula: C27H37N3O3 MolecularWeight: 451.60098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2C3=CC(=C(C=C3CCN2C(=O)NCCN4CCCCCC4)OC)OC

Isomeric SMILES

CC1=CC=CC=C1C2C3=CC(=C(C=C3CCN2C(=O)NCCN4CCCCCC4)OC)OC

InChI

InChI=1S/C27H37N3O3/c1-20-10-6-7-11-22(20)26-23-19-25(33-3)24(32-2)18-21(23)12-16-30(26)27(31)28-13-17-29-14-8-4-5-9-15-29/h6-7,10-11,18-19,26H,4-5,8-9,12-17H2,1-3H3,(H,28,31)