[1-[(2-chloranylpyridin-3-yl)amino]-1-oxidanylidene-propan-2-yl] 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate

Systemtic Name: [1-[(2-chloranylpyridin-3-yl)amino]-1-oxidanylidene-propan-2-yl] 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate Openeye Name: [2-[(2-chloro-3-pyridyl)amino]-1-methyl-2-oxo-ethyl] 1-(5-cyano-2-pyridyl)piperidine-4-carboxylate CAS Name: 1-(5-cyano-2-pyridinyl)-4-piperidinecarboxylic acid [1-[(2-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(2-chloropyridin-3-yl)amino]-1-oxopropan-2-yl] 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate Traditional Name: 1-(5-cyano-2-pyridyl)isonipecotic acid [2-[(2-chloro-3-pyridyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C20H20ClN5O3 MolecularWeight: 413.8575

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(N=CC=C1)Cl)OC(=O)C2CCN(CC2)C3=NC=C(C=C3)C#N

Isomeric SMILES

CC(C(=O)NC1=C(N=CC=C1)Cl)OC(=O)C2CCN(CC2)C3=NC=C(C=C3)C#N

InChI

InChI=1S/C20H20ClN5O3/c1-13(19(27)25-16-3-2-8-23-18(16)21)29-20(28)15-6-9-26(10-7-15)17-5-4-14(11-22)12-24-17/h2-5,8,12-13,15H,6-7,9-10H2,1H3,(H,25,27)