methyl 1-[[1-(5-cyanopyridin-2-yl)piperidin-4-yl]carbonylamino]cyclohexane-1-carboxylate

Systemtic Name: methyl 1-[[1-(5-cyanopyridin-2-yl)piperidin-4-yl]carbonylamino]cyclohexane-1-carboxylate Openeye Name: methyl 1-[[1-(5-cyano-2-pyridyl)piperidine-4-carbonyl]amino]cyclohexanecarboxylate CAS Name: 1-[[[1-(5-cyano-2-pyridinyl)-4-piperidinyl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 1-[[1-(5-cyanopyridin-2-yl)piperidine-4-carbonyl]amino]cyclohexane-1-carboxylate Traditional Name: 1-[[1-(5-cyano-2-pyridyl)isonipecotoyl]amino]cyclohexanecarboxylic acid methyl ester Formula: C20H26N4O3 MolecularWeight: 370.44544

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCCCC1)NC(=O)C2CCN(CC2)C3=NC=C(C=C3)C#N

Isomeric SMILES

COC(=O)C1(CCCCC1)NC(=O)C2CCN(CC2)C3=NC=C(C=C3)C#N

InChI

InChI=1S/C20H26N4O3/c1-27-19(26)20(9-3-2-4-10-20)23-18(25)16-7-11-24(12-8-16)17-6-5-15(13-21)14-22-17/h5-6,14,16H,2-4,7-12H2,1H3,(H,23,25)