[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl] 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate

Systemtic Name: [2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl] 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate Openeye Name: [2-(3-methylanilino)-2-oxo-ethyl] 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate CAS Name: 6-(3,5-dimethyl-1-pyrazolyl)-3-pyridinecarboxylic acid [2-(3-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylanilino)-2-oxoethyl] 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate Traditional Name: 6-(3,5-dimethylpyrazol-1-yl)nicotinic acid [2-keto-2-(m-toluidino)ethyl] ester Formula: C20H20N4O3 MolecularWeight: 364.3978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)COC(=O)C2=CN=C(C=C2)N3C(=CC(=N3)C)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)COC(=O)C2=CN=C(C=C2)N3C(=CC(=N3)C)C

InChI

InChI=1S/C20H20N4O3/c1-13-5-4-6-17(9-13)22-19(25)12-27-20(26)16-7-8-18(21-11-16)24-15(3)10-14(2)23-24/h4-11H,12H2,1-3H3,(H,22,25)