1-[4-[3-(4-cyclopentylpiperazin-1-yl)carbonyl-6-methyl-pyridin-2-yl]piperidin-1-yl]-2-phenyl-ethanone

Systemtic Name: 1-[4-[3-(4-cyclopentylpiperazin-1-yl)carbonyl-6-methyl-pyridin-2-yl]piperidin-1-yl]-2-phenyl-ethanone Openeye Name: 1-[4-[3-(4-cyclopentylpiperazine-1-carbonyl)-6-methyl-2-pyridyl]-1-piperidyl]-2-phenyl-ethanone CAS Name: 1-[4-[3-[(4-cyclopentyl-1-piperazinyl)-oxomethyl]-6-methyl-2-pyridinyl]-1-piperidinyl]-2-phenylethanone IUPAC Name: 1-[4-[3-(4-cyclopentylpiperazine-1-carbonyl)-6-methylpyridin-2-yl]piperidin-1-yl]-2-phenylethanone Traditional Name: 1-[4-[3-(4-cyclopentylpiperazine-1-carbonyl)-6-methyl-2-pyridyl]piperidino]-2-phenyl-ethanone Formula: C29H38N4O2 MolecularWeight: 474.63762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)C(=O)N2CCN(CC2)C3CCCC3)C4CCN(CC4)C(=O)CC5=CC=CC=C5

Isomeric SMILES

CC1=NC(=C(C=C1)C(=O)N2CCN(CC2)C3CCCC3)C4CCN(CC4)C(=O)CC5=CC=CC=C5

InChI

InChI=1S/C29H38N4O2/c1-22-11-12-26(29(35)33-19-17-31(18-20-33)25-9-5-6-10-25)28(30-22)24-13-15-32(16-14-24)27(34)21-23-7-3-2-4-8-23/h2-4,7-8,11-12,24-25H,5-6,9-10,13-21H2,1H3