[1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: [1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylate Openeye Name: [2-(3-cyanoanilino)-1-methyl-2-oxo-ethyl] 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylate CAS Name: 3,5-dimethyl-1-phenyl-4-pyrazolecarboxylic acid [1-(3-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-cyanoanilino)-1-oxopropan-2-yl] 3,5-dimethyl-1-phenylpyrazole-4-carboxylate Traditional Name: 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylic acid [2-(3-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C22H20N4O3 MolecularWeight: 388.4192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)OC(C)C(=O)NC3=CC=CC(=C3)C#N

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)OC(C)C(=O)NC3=CC=CC(=C3)C#N

InChI

InChI=1S/C22H20N4O3/c1-14-20(15(2)26(25-14)19-10-5-4-6-11-19)22(28)29-16(3)21(27)24-18-9-7-8-17(12-18)13-23/h4-12,16H,1-3H3,(H,24,27)