N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-dimethylaminophenyl)ethyl]-3-methyl-benzamide

Systemtic Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-dimethylaminophenyl)ethyl]-3-methyl-benzamide Openeye Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-dimethylaminophenyl)ethyl]-3-methyl-benzamide CAS Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-dimethylaminophenyl)ethyl]-3-methylbenzamide IUPAC Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-dimethylaminophenyl)ethyl]-3-methylbenzamide Traditional Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-dimethylaminophenyl)ethyl]-3-methyl-benzamide Formula: C27H31N3O MolecularWeight: 413.55454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NCC(C2=CC=C(C=C2)N(C)C)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NCC(C2=CC=C(C=C2)N(C)C)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C27H31N3O/c1-20-7-6-10-23(17-20)27(31)28-18-26(22-11-13-25(14-12-22)29(2)3)30-16-15-21-8-4-5-9-24(21)19-30/h4-14,17,26H,15-16,18-19H2,1-3H3,(H,28,31)