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

Systemtic Name: 2-cyclopentyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(phenylcarbonyl)piperazin-1-yl]ethanone Openeye Name: 2-(4-benzoylpiperazin-1-yl)-2-cyclopentyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone CAS Name: 2-(4-benzoyl-1-piperazinyl)-2-cyclopentyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone IUPAC Name: 2-(4-benzoylpiperazin-1-yl)-2-cyclopentyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone Traditional Name: 2-(4-benzoylpiperazino)-2-cyclopentyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone Formula: C27H33N3O2 MolecularWeight: 431.56982

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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=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C27H33N3O2/c31-26(23-11-2-1-3-12-23)29-18-16-28(17-19-29)25(22-9-5-6-10-22)27(32)30-15-14-21-8-4-7-13-24(21)20-30/h1-4,7-8,11-13,22,25H,5-6,9-10,14-20H2