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

Systemtic Name: [1-[(2,4-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate Openeye Name: [2-(2,4-dimethylanilino)-1-methyl-2-oxo-ethyl] 1-(5-cyano-2-pyridyl)piperidine-4-carboxylate CAS Name: 1-(5-cyano-2-pyridinyl)-4-piperidinecarboxylic acid [1-(2,4-dimethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2,4-dimethylanilino)-1-oxopropan-2-yl] 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate Traditional Name: 1-(5-cyano-2-pyridyl)isonipecotic acid [2-(2,4-dimethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C23H26N4O3 MolecularWeight: 406.47754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(C)OC(=O)C2CCN(CC2)C3=NC=C(C=C3)C#N)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C(C)OC(=O)C2CCN(CC2)C3=NC=C(C=C3)C#N)C

InChI

InChI=1S/C23H26N4O3/c1-15-4-6-20(16(2)12-15)26-22(28)17(3)30-23(29)19-8-10-27(11-9-19)21-7-5-18(13-24)14-25-21/h4-7,12,14,17,19H,8-11H2,1-3H3,(H,26,28)