[2-[(4-ethylphenyl)amino]-2-oxidanylidene-ethyl] 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate

Systemtic Name: [2-[(4-ethylphenyl)amino]-2-oxidanylidene-ethyl] 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate Openeye Name: [2-(4-ethylanilino)-2-oxo-ethyl] 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate CAS Name: 6-(3,5-dimethyl-1-pyrazolyl)-3-pyridinecarboxylic acid [2-(4-ethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-ethylanilino)-2-oxoethyl] 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate Traditional Name: 6-(3,5-dimethylpyrazol-1-yl)nicotinic acid [2-(4-ethylanilino)-2-keto-ethyl] ester Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)COC(=O)C2=CN=C(C=C2)N3C(=CC(=N3)C)C

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)COC(=O)C2=CN=C(C=C2)N3C(=CC(=N3)C)C

InChI

InChI=1S/C21H22N4O3/c1-4-16-5-8-18(9-6-16)23-20(26)13-28-21(27)17-7-10-19(22-12-17)25-15(3)11-14(2)24-25/h5-12H,4,13H2,1-3H3,(H,23,26)