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

Systemtic Name: 2-(cycloheptylmethyl)-7-[4-(3,3-diphenylpropyl)piperazin-1-yl]-3,4-dihydroisoquinolin-1-one Openeye Name: 2-(cycloheptylmethyl)-7-[4-(3,3-diphenylpropyl)piperazin-1-yl]-3,4-dihydroisoquinolin-1-one CAS Name: 2-(cycloheptylmethyl)-7-[4-(3,3-diphenylpropyl)-1-piperazinyl]-3,4-dihydroisoquinolin-1-one IUPAC Name: 2-(cycloheptylmethyl)-7-[4-(3,3-diphenylpropyl)piperazin-1-yl]-3,4-dihydroisoquinolin-1-one Traditional Name: 2-(cycloheptylmethyl)-7-[4-(3,3-diphenylpropyl)piperazino]-3,4-dihydroisocarbostyril Formula: C36H45N3O MolecularWeight: 535.762

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)CN2CCC3=C(C2=O)C=C(C=C3)N4CCN(CC4)CCC(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1CCCC(CC1)CN2CCC3=C(C2=O)C=C(C=C3)N4CCN(CC4)CCC(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C36H45N3O/c40-36-35-27-33(18-17-32(35)19-22-39(36)28-29-11-5-1-2-6-12-29)38-25-23-37(24-26-38)21-20-34(30-13-7-3-8-14-30)31-15-9-4-10-16-31/h3-4,7-10,13-18,27,29,34H,1-2,5-6,11-12,19-26,28H2