[1-[(2-chlorophenyl)methylamino]-1-oxidanylidene-propan-2-yl] 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate

Systemtic Name: [1-[(2-chlorophenyl)methylamino]-1-oxidanylidene-propan-2-yl] 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate Openeye Name: [2-[(2-chlorophenyl)methylamino]-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-chlorophenyl)methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate Traditional Name: 1-(5-cyano-2-pyridyl)isonipecotic acid [2-[(2-chlorobenzyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C22H23ClN4O3 MolecularWeight: 426.89602

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1Cl)OC(=O)C2CCN(CC2)C3=NC=C(C=C3)C#N

Isomeric SMILES

CC(C(=O)NCC1=CC=CC=C1Cl)OC(=O)C2CCN(CC2)C3=NC=C(C=C3)C#N

InChI

InChI=1S/C22H23ClN4O3/c1-15(21(28)26-14-18-4-2-3-5-19(18)23)30-22(29)17-8-10-27(11-9-17)20-7-6-16(12-24)13-25-20/h2-7,13,15,17H,8-11,14H2,1H3,(H,26,28)