2-(4-aminophenyl)-7-[4-(3,3-diphenylpropyl)piperazin-1-yl]-3,4-dihydroisoquinolin-1-one

Systemtic Name: 2-(4-aminophenyl)-7-[4-(3,3-diphenylpropyl)piperazin-1-yl]-3,4-dihydroisoquinolin-1-one Openeye Name: 2-(4-aminophenyl)-7-[4-(3,3-diphenylpropyl)piperazin-1-yl]-3,4-dihydroisoquinolin-1-one CAS Name: 2-(4-aminophenyl)-7-[4-(3,3-diphenylpropyl)-1-piperazinyl]-3,4-dihydroisoquinolin-1-one IUPAC Name: 2-(4-aminophenyl)-7-[4-(3,3-diphenylpropyl)piperazin-1-yl]-3,4-dihydroisoquinolin-1-one Traditional Name: 2-(4-aminophenyl)-7-[4-(3,3-diphenylpropyl)piperazino]-3,4-dihydroisocarbostyril Formula: C34H36N4O MolecularWeight: 516.67584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C2=C1C=CC(=C2)N3CCN(CC3)CCC(C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=C(C=C6)N

Isomeric SMILES

C1CN(C(=O)C2=C1C=CC(=C2)N3CCN(CC3)CCC(C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=C(C=C6)N

InChI

InChI=1S/C34H36N4O/c35-29-12-15-30(16-13-29)38-20-17-28-11-14-31(25-33(28)34(38)39)37-23-21-36(22-24-37)19-18-32(26-7-3-1-4-8-26)27-9-5-2-6-10-27/h1-16,25,32H,17-24,35H2