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

Systemtic Name: 3-[4-(4,4-diphenylbutyl)piperazin-1-yl]-2-phenyl-3,4-dihydroisoquinolin-1-one Openeye Name: 3-[4-(4,4-diphenylbutyl)piperazin-1-yl]-2-phenyl-3,4-dihydroisoquinolin-1-one CAS Name: 3-[4-(4,4-diphenylbutyl)-1-piperazinyl]-2-phenyl-3,4-dihydroisoquinolin-1-one IUPAC Name: 3-[4-(4,4-diphenylbutyl)piperazin-1-yl]-2-phenyl-3,4-dihydroisoquinolin-1-one Traditional Name: 3-[4-(4,4-diphenylbutyl)piperazino]-2-phenyl-3,4-dihydroisocarbostyril Formula: C35H37N3O MolecularWeight: 515.68778

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCC(C2=CC=CC=C2)C3=CC=CC=C3)C4CC5=CC=CC=C5C(=O)N4C6=CC=CC=C6

Isomeric SMILES

C1CN(CCN1CCCC(C2=CC=CC=C2)C3=CC=CC=C3)C4CC5=CC=CC=C5C(=O)N4C6=CC=CC=C6

InChI

InChI=1S/C35H37N3O/c39-35-33-20-11-10-17-30(33)27-34(38(35)31-18-8-3-9-19-31)37-25-23-36(24-26-37)22-12-21-32(28-13-4-1-5-14-28)29-15-6-2-7-16-29/h1-11,13-20,32,34H,12,21-27H2