[1-(tert-butylamino)-1-oxidanylidene-propan-2-yl] 1-(4-methylphenyl)-3-phenyl-pyrazole-4-carboxylate

Systemtic Name: [1-(tert-butylamino)-1-oxidanylidene-propan-2-yl] 1-(4-methylphenyl)-3-phenyl-pyrazole-4-carboxylate Openeye Name: [2-(tert-butylamino)-1-methyl-2-oxo-ethyl] 3-phenyl-1-(p-tolyl)pyrazole-4-carboxylate CAS Name: 1-(4-methylphenyl)-3-phenyl-4-pyrazolecarboxylic acid [1-(tert-butylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(tert-butylamino)-1-oxopropan-2-yl] 1-(4-methylphenyl)-3-phenylpyrazole-4-carboxylate Traditional Name: 3-phenyl-1-(p-tolyl)pyrazole-4-carboxylic acid [2-(tert-butylamino)-2-keto-1-methyl-ethyl] ester Formula: C24H27N3O3 MolecularWeight: 405.48948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27N3O3/c1-16-11-13-19(14-12-16)27-15-20(21(26-27)18-9-7-6-8-10-18)23(29)30-17(2)22(28)25-24(3,4)5/h6-15,17H,1-5H3,(H,25,28)