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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)CNC(=O)C2CCN(CC2)C3=NC=C(C=C3)C#N

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)CNC(=O)C2CCN(CC2)C3=NC=C(C=C3)C#N

InChI

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