[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl] 5-propan-2-yl-1-pyridin-2-yl-pyrazole-4-carboxylate

Systemtic Name: [2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl] 5-propan-2-yl-1-pyridin-2-yl-pyrazole-4-carboxylate Openeye Name: [2-(3-methylanilino)-2-oxo-ethyl] 5-isopropyl-1-(2-pyridyl)pyrazole-4-carboxylate CAS Name: 5-propan-2-yl-1-(2-pyridinyl)-4-pyrazolecarboxylic acid [2-(3-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylanilino)-2-oxoethyl] 5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxylate Traditional Name: 5-isopropyl-1-(2-pyridyl)pyrazole-4-carboxylic acid [2-keto-2-(m-toluidino)ethyl] ester Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)COC(=O)C2=C(N(N=C2)C3=CC=CC=N3)C(C)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)COC(=O)C2=C(N(N=C2)C3=CC=CC=N3)C(C)C

InChI

InChI=1S/C21H22N4O3/c1-14(2)20-17(12-23-25(20)18-9-4-5-10-22-18)21(27)28-13-19(26)24-16-8-6-7-15(3)11-16/h4-12,14H,13H2,1-3H3,(H,24,26)