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

Systemtic Name: 2-(3,3-diphenylpropyl)-7-[4-(3,3-diphenylpropyl)piperazin-1-yl]-3,4-dihydroisoquinolin-1-one Openeye Name: 2-(3,3-diphenylpropyl)-7-[4-(3,3-diphenylpropyl)piperazin-1-yl]-3,4-dihydroisoquinolin-1-one CAS Name: 2-(3,3-diphenylpropyl)-7-[4-(3,3-diphenylpropyl)-1-piperazinyl]-3,4-dihydroisoquinolin-1-one IUPAC Name: 2-(3,3-diphenylpropyl)-7-[4-(3,3-diphenylpropyl)piperazin-1-yl]-3,4-dihydroisoquinolin-1-one Traditional Name: 2-(3,3-diphenylpropyl)-7-[4-(3,3-diphenylpropyl)piperazino]-3,4-dihydroisocarbostyril Formula: C43H45N3O MolecularWeight: 619.8369

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)CCC(C6=CC=CC=C6)C7=CC=CC=C7

Isomeric SMILES

C1CN(C(=O)C2=C1C=CC(=C2)N3CCN(CC3)CCC(C4=CC=CC=C4)C5=CC=CC=C5)CCC(C6=CC=CC=C6)C7=CC=CC=C7

InChI

InChI=1S/C43H45N3O/c47-43-42-33-39(45-31-29-44(30-32-45)26-24-40(34-13-5-1-6-14-34)35-15-7-2-8-16-35)22-21-38(42)23-27-46(43)28-25-41(36-17-9-3-10-18-36)37-19-11-4-12-20-37/h1-22,33,40-41H,23-32H2