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

Systemtic Name: 7-[4-(4,4-diphenylbutyl)piperazin-1-yl]-2-phenyl-3,4-dihydroisoquinolin-1-one Openeye Name: 7-[4-(4,4-diphenylbutyl)piperazin-1-yl]-2-phenyl-3,4-dihydroisoquinolin-1-one CAS Name: 7-[4-(4,4-diphenylbutyl)-1-piperazinyl]-2-phenyl-3,4-dihydroisoquinolin-1-one IUPAC Name: 7-[4-(4,4-diphenylbutyl)piperazin-1-yl]-2-phenyl-3,4-dihydroisoquinolin-1-one Traditional Name: 7-[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(C(=O)C2=C1C=CC(=C2)N3CCN(CC3)CCCC(C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

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

InChI

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