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

Systemtic Name: [4-[3-(4-cyclohexylpiperazin-1-yl)carbonyl-6-methyl-pyridin-2-yl]piperidin-1-yl]-phenyl-methanone Openeye Name: [4-[3-(4-cyclohexylpiperazine-1-carbonyl)-6-methyl-2-pyridyl]-1-piperidyl]-phenyl-methanone CAS Name: [4-[3-[(4-cyclohexyl-1-piperazinyl)-oxomethyl]-6-methyl-2-pyridinyl]-1-piperidinyl]-phenylmethanone IUPAC Name: [4-[3-(4-cyclohexylpiperazine-1-carbonyl)-6-methylpyridin-2-yl]piperidin-1-yl]-phenylmethanone Traditional Name: [4-[3-(4-cyclohexylpiperazine-1-carbonyl)-6-methyl-2-pyridyl]piperidino]-phenyl-methanone Formula: C29H38N4O2 MolecularWeight: 474.63762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)C(=O)N2CCN(CC2)C3CCCCC3)C4CCN(CC4)C(=O)C5=CC=CC=C5

Isomeric SMILES

CC1=NC(=C(C=C1)C(=O)N2CCN(CC2)C3CCCCC3)C4CCN(CC4)C(=O)C5=CC=CC=C5

InChI

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