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

Systemtic Name: 7-[4-(3,3-diphenylpropyl)piperazin-1-yl]-2-phenethyl-3,4-dihydroisoquinolin-1-one Openeye Name: 7-[4-(3,3-diphenylpropyl)piperazin-1-yl]-2-phenethyl-3,4-dihydroisoquinolin-1-one CAS Name: 7-[4-(3,3-diphenylpropyl)-1-piperazinyl]-2-phenethyl-3,4-dihydroisoquinolin-1-one IUPAC Name: 7-[4-(3,3-diphenylpropyl)piperazin-1-yl]-2-phenethyl-3,4-dihydroisoquinolin-1-one Traditional Name: 7-[4-(3,3-diphenylpropyl)piperazino]-2-phenethyl-3,4-dihydroisocarbostyril Formula: C36H39N3O MolecularWeight: 529.71436

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C2=C1C=CC(=C2)N3CCN(CC3)CCC(C4=CC=CC=C4)C5=CC=CC=C5)CCC6=CC=CC=C6

Isomeric SMILES

C1CN(C(=O)C2=C1C=CC(=C2)N3CCN(CC3)CCC(C4=CC=CC=C4)C5=CC=CC=C5)CCC6=CC=CC=C6

InChI

InChI=1S/C36H39N3O/c40-36-35-28-33(17-16-32(35)19-23-39(36)22-18-29-10-4-1-5-11-29)38-26-24-37(25-27-38)21-20-34(30-12-6-2-7-13-30)31-14-8-3-9-15-31/h1-17,28,34H,18-27H2