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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCC(CC1)NC(=O)C2CCN(CC2)C3=NC=C(C=C3)C#N

Isomeric SMILES

COC(=O)C1CCC(CC1)NC(=O)C2CCN(CC2)C3=NC=C(C=C3)C#N

InChI

InChI=1S/C20H26N4O3/c1-27-20(26)16-3-5-17(6-4-16)23-19(25)15-8-10-24(11-9-15)18-7-2-14(12-21)13-22-18/h2,7,13,15-17H,3-6,8-11H2,1H3,(H,23,25)