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

Systemtic Name: 7-[4-(3,3-diphenylpropyl)piperazin-1-yl]-2-[(E)-3-phenylprop-2-enyl]-3,4-dihydroisoquinolin-1-one Openeye Name: 2-[(E)-cinnamyl]-7-[4-(3,3-diphenylpropyl)piperazin-1-yl]-3,4-dihydroisoquinolin-1-one CAS Name: 7-[4-(3,3-diphenylpropyl)-1-piperazinyl]-2-[(E)-3-phenylprop-2-enyl]-3,4-dihydroisoquinolin-1-one IUPAC Name: 7-[4-(3,3-diphenylpropyl)piperazin-1-yl]-2-[(E)-3-phenylprop-2-enyl]-3,4-dihydroisoquinolin-1-one Traditional Name: 2-[(E)-cinnamyl]-7-[4-(3,3-diphenylpropyl)piperazino]-3,4-dihydroisocarbostyril Formula: C37H39N3O MolecularWeight: 541.72506

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)CC=CC6=CC=CC=C6

Isomeric SMILES

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

InChI

InChI=1S/C37H39N3O/c41-37-36-29-34(19-18-33(36)20-24-40(37)22-10-13-30-11-4-1-5-12-30)39-27-25-38(26-28-39)23-21-35(31-14-6-2-7-15-31)32-16-8-3-9-17-32/h1-19,29,35H,20-28H2/b13-10+