[2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethyl] 3-(4-methylphenyl)-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: [2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethyl] 3-(4-methylphenyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: [2-(4-methyl-1-piperidyl)-2-oxo-ethyl] 1-phenyl-3-(p-tolyl)pyrazole-4-carboxylate CAS Name: 3-(4-methylphenyl)-1-phenyl-4-pyrazolecarboxylic acid [2-(4-methyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 3-(4-methylphenyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 1-phenyl-3-(p-tolyl)pyrazole-4-carboxylic acid [2-keto-2-(4-methylpiperidino)ethyl] ester Formula: C25H27N3O3 MolecularWeight: 417.50018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)COC(=O)C2=CN(N=C2C3=CC=C(C=C3)C)C4=CC=CC=C4

Isomeric SMILES

CC1CCN(CC1)C(=O)COC(=O)C2=CN(N=C2C3=CC=C(C=C3)C)C4=CC=CC=C4

InChI

InChI=1S/C25H27N3O3/c1-18-8-10-20(11-9-18)24-22(16-28(26-24)21-6-4-3-5-7-21)25(30)31-17-23(29)27-14-12-19(2)13-15-27/h3-11,16,19H,12-15,17H2,1-2H3