[2-[[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]amino]-2-oxidanylidene-ethyl] pyridine-3-carboxylate

Systemtic Name: [2-[[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]amino]-2-oxidanylidene-ethyl] pyridine-3-carboxylate Openeye Name: [2-[[3,5-dimethyl-1-(p-tolyl)pyrazol-4-yl]amino]-2-oxo-ethyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [2-[[3,5-dimethyl-1-(4-methylphenyl)-4-pyrazolyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]amino]-2-oxoethyl] pyridine-3-carboxylate Traditional Name: nicotinic acid [2-[[3,5-dimethyl-1-(p-tolyl)pyrazol-4-yl]amino]-2-keto-ethyl] ester Formula: C20H20N4O3 MolecularWeight: 364.3978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C(C(=N2)C)NC(=O)COC(=O)C3=CN=CC=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(C(=N2)C)NC(=O)COC(=O)C3=CN=CC=C3)C

InChI

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