ethyl 4-[3-(2-methylphenyl)-1-phenyl-pyrazol-4-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[3-(2-methylphenyl)-1-phenyl-pyrazol-4-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[3-(o-tolyl)-1-phenyl-pyrazole-4-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[3-(2-methylphenyl)-1-phenyl-4-pyrazolyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-(2-methylphenyl)-1-phenylpyrazole-4-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[3-(o-tolyl)-1-phenyl-pyrazole-4-carbonyl]piperazine-1-carboxylic acid ethyl ester Formula: C24H26N4O3 MolecularWeight: 418.48824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=CN(N=C2C3=CC=CC=C3C)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CN(N=C2C3=CC=CC=C3C)C4=CC=CC=C4

InChI

InChI=1S/C24H26N4O3/c1-3-31-24(30)27-15-13-26(14-16-27)23(29)21-17-28(19-10-5-4-6-11-19)25-22(21)20-12-8-7-9-18(20)2/h4-12,17H,3,13-16H2,1-2H3