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

Systemtic Name: 7-[4-(4,4-diphenylbutyl)piperazin-1-yl]-2-(phenylmethyl)-3,4-dihydroisoquinolin-1-one Openeye Name: 2-benzyl-7-[4-(4,4-diphenylbutyl)piperazin-1-yl]-3,4-dihydroisoquinolin-1-one CAS Name: 7-[4-(4,4-diphenylbutyl)-1-piperazinyl]-2-(phenylmethyl)-3,4-dihydroisoquinolin-1-one IUPAC Name: 2-benzyl-7-[4-(4,4-diphenylbutyl)piperazin-1-yl]-3,4-dihydroisoquinolin-1-one Traditional Name: 2-benzyl-7-[4-(4,4-diphenylbutyl)piperazino]-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)CCCC(C4=CC=CC=C4)C5=CC=CC=C5)CC6=CC=CC=C6

Isomeric SMILES

C1CN(C(=O)C2=C1C=CC(=C2)N3CCN(CC3)CCCC(C4=CC=CC=C4)C5=CC=CC=C5)CC6=CC=CC=C6

InChI

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