[2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 2-methyl-6-phenyl-pyridine-3-carboxylate

Systemtic Name: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 2-methyl-6-phenyl-pyridine-3-carboxylate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl] 2-methyl-6-phenyl-pyridine-3-carboxylate CAS Name: 2-methyl-6-phenyl-3-pyridinecarboxylic acid [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 2-methyl-6-phenylpyridine-3-carboxylate Traditional Name: 2-methyl-6-phenyl-nicotinic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-ethyl] ester Formula: C22H23N3O3 MolecularWeight: 377.43632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=N1)C2=CC=CC=C2)C(=O)OCC(=O)NC3(CCCCC3)C#N

Isomeric SMILES

CC1=C(C=CC(=N1)C2=CC=CC=C2)C(=O)OCC(=O)NC3(CCCCC3)C#N

InChI

InChI=1S/C22H23N3O3/c1-16-18(10-11-19(24-16)17-8-4-2-5-9-17)21(27)28-14-20(26)25-22(15-23)12-6-3-7-13-22/h2,4-5,8-11H,3,6-7,12-14H2,1H3,(H,25,26)