3,4-dihydro-1H-isoquinolin-2-yl-[3-[[4-(3,4-dimethylphenyl)piperazin-1-yl]methyl]phenyl]methanone

Systemtic Name: 3,4-dihydro-1H-isoquinolin-2-yl-[3-[[4-(3,4-dimethylphenyl)piperazin-1-yl]methyl]phenyl]methanone Openeye Name: 3,4-dihydro-1H-isoquinolin-2-yl-[3-[[4-(3,4-dimethylphenyl)piperazin-1-yl]methyl]phenyl]methanone CAS Name: 3,4-dihydro-1H-isoquinolin-2-yl-[3-[[4-(3,4-dimethylphenyl)-1-piperazinyl]methyl]phenyl]methanone IUPAC Name: 3,4-dihydro-1H-isoquinolin-2-yl-[3-[[4-(3,4-dimethylphenyl)piperazin-1-yl]methyl]phenyl]methanone Traditional Name: 3,4-dihydro-1H-isoquinolin-2-yl-[3-[[4-(3,4-dimethylphenyl)piperazino]methyl]phenyl]methanone Formula: C29H33N3O MolecularWeight: 439.59182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2CCN(CC2)CC3=CC=CC(=C3)C(=O)N4CCC5=CC=CC=C5C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2CCN(CC2)CC3=CC=CC(=C3)C(=O)N4CCC5=CC=CC=C5C4)C

InChI

InChI=1S/C29H33N3O/c1-22-10-11-28(18-23(22)2)31-16-14-30(15-17-31)20-24-6-5-9-26(19-24)29(33)32-13-12-25-7-3-4-8-27(25)21-32/h3-11,18-19H,12-17,20-21H2,1-2H3