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

Systemtic Name: 2-(cyclohexylmethyl)-7-[4-(3,3-diphenylpropyl)piperazin-1-yl]-3,4-dihydroisoquinolin-1-one Openeye Name: 2-(cyclohexylmethyl)-7-[4-(3,3-diphenylpropyl)piperazin-1-yl]-3,4-dihydroisoquinolin-1-one CAS Name: 2-(cyclohexylmethyl)-7-[4-(3,3-diphenylpropyl)-1-piperazinyl]-3,4-dihydroisoquinolin-1-one IUPAC Name: 2-(cyclohexylmethyl)-7-[4-(3,3-diphenylpropyl)piperazin-1-yl]-3,4-dihydroisoquinolin-1-one Traditional Name: 2-(cyclohexylmethyl)-7-[4-(3,3-diphenylpropyl)piperazino]-3,4-dihydroisocarbostyril Formula: C35H43N3O MolecularWeight: 521.73542

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CN2CCC3=C(C2=O)C=C(C=C3)N4CCN(CC4)CCC(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1CCC(CC1)CN2CCC3=C(C2=O)C=C(C=C3)N4CCN(CC4)CCC(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C35H43N3O/c39-35-34-26-32(17-16-31(34)18-21-38(35)27-28-10-4-1-5-11-28)37-24-22-36(23-25-37)20-19-33(29-12-6-2-7-13-29)30-14-8-3-9-15-30/h2-3,6-9,12-17,26,28,33H,1,4-5,10-11,18-25,27H2