[1-[(2-methylcyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate

Systemtic Name: [1-[(2-methylcyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate Openeye Name: [1-methyl-2-[(2-methylcyclohexyl)amino]-2-oxo-ethyl] 1-(5-cyano-2-pyridyl)piperidine-4-carboxylate CAS Name: 1-(5-cyano-2-pyridinyl)-4-piperidinecarboxylic acid [1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate Traditional Name: 1-(5-cyano-2-pyridyl)isonipecotic acid [2-keto-1-methyl-2-[(2-methylcyclohexyl)amino]ethyl] ester Formula: C22H30N4O3 MolecularWeight: 398.4986

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)C(C)OC(=O)C2CCN(CC2)C3=NC=C(C=C3)C#N

Isomeric SMILES

CC1CCCCC1NC(=O)C(C)OC(=O)C2CCN(CC2)C3=NC=C(C=C3)C#N

InChI

InChI=1S/C22H30N4O3/c1-15-5-3-4-6-19(15)25-21(27)16(2)29-22(28)18-9-11-26(12-10-18)20-8-7-17(13-23)14-24-20/h7-8,14-16,18-19H,3-6,9-12H2,1-2H3,(H,25,27)