2-[4-(4-chlorophenyl)carbonylpiperazin-1-yl]-2-cyclopentyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone

Systemtic Name: 2-[4-(4-chlorophenyl)carbonylpiperazin-1-yl]-2-cyclopentyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone Openeye Name: 2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone CAS Name: 2-[4-[(4-chlorophenyl)-oxomethyl]-1-piperazinyl]-2-cyclopentyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone IUPAC Name: 2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone Traditional Name: 2-[4-(4-chlorobenzoyl)piperazino]-2-cyclopentyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone Formula: C27H32ClN3O2 MolecularWeight: 466.01488

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C(C(=O)N2CCC3=CC=CC=C3C2)N4CCN(CC4)C(=O)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1CCC(C1)C(C(=O)N2CCC3=CC=CC=C3C2)N4CCN(CC4)C(=O)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C27H32ClN3O2/c28-24-11-9-22(10-12-24)26(32)30-17-15-29(16-18-30)25(21-6-2-3-7-21)27(33)31-14-13-20-5-1-4-8-23(20)19-31/h1,4-5,8-12,21,25H,2-3,6-7,13-19H2