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

Systemtic Name: 2-cyclopropyl-7-[4-(4,4-diphenylbutyl)piperazin-1-yl]-3,4-dihydroisoquinolin-1-one Openeye Name: 2-cyclopropyl-7-[4-(4,4-diphenylbutyl)piperazin-1-yl]-3,4-dihydroisoquinolin-1-one CAS Name: 2-cyclopropyl-7-[4-(4,4-diphenylbutyl)-1-piperazinyl]-3,4-dihydroisoquinolin-1-one IUPAC Name: 2-cyclopropyl-7-[4-(4,4-diphenylbutyl)piperazin-1-yl]-3,4-dihydroisoquinolin-1-one Traditional Name: 2-cyclopropyl-7-[4-(4,4-diphenylbutyl)piperazino]-3,4-dihydroisocarbostyril Formula: C32H37N3O MolecularWeight: 479.65568

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2CCC3=C(C2=O)C=C(C=C3)N4CCN(CC4)CCCC(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1CC1N2CCC3=C(C2=O)C=C(C=C3)N4CCN(CC4)CCCC(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C32H37N3O/c36-32-31-24-29(14-13-27(31)17-19-35(32)28-15-16-28)34-22-20-33(21-23-34)18-7-12-30(25-8-3-1-4-9-25)26-10-5-2-6-11-26/h1-6,8-11,13-14,24,28,30H,7,12,15-23H2