N-[2-[(3-chlorophenyl)amino]-2-oxidanylidene-ethyl]-1-(5-cyanopyridin-2-yl)-N-methyl-piperidine-4-carboxamide

Systemtic Name: N-[2-[(3-chlorophenyl)amino]-2-oxidanylidene-ethyl]-1-(5-cyanopyridin-2-yl)-N-methyl-piperidine-4-carboxamide Openeye Name: N-[2-(3-chloroanilino)-2-oxo-ethyl]-1-(5-cyano-2-pyridyl)-N-methyl-piperidine-4-carboxamide CAS Name: N-[2-(3-chloroanilino)-2-oxoethyl]-1-(5-cyano-2-pyridinyl)-N-methyl-4-piperidinecarboxamide IUPAC Name: N-[2-(3-chloroanilino)-2-oxoethyl]-1-(5-cyanopyridin-2-yl)-N-methylpiperidine-4-carboxamide Traditional Name: N-[2-(3-chloroanilino)-2-keto-ethyl]-1-(5-cyano-2-pyridyl)-N-methyl-isonipecotamide Formula: C21H22ClN5O2 MolecularWeight: 411.88468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN5O2/c1-26(14-20(28)25-18-4-2-3-17(22)11-18)21(29)16-7-9-27(10-8-16)19-6-5-15(12-23)13-24-19/h2-6,11,13,16H,7-10,14H2,1H3,(H,25,28)