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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)N2CCC3=C(C2=O)C=C(C=C3)N4CCN(CC4)CCC(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1CCCC(CC1)N2CCC3=C(C2=O)C=C(C=C3)N4CCN(CC4)CCC(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C35H43N3O/c39-35-34-27-32(18-17-30(34)19-22-38(35)31-15-9-1-2-10-16-31)37-25-23-36(24-26-37)21-20-33(28-11-5-3-6-12-28)29-13-7-4-8-14-29/h3-8,11-14,17-18,27,31,33H,1-2,9-10,15-16,19-26H2