tert-butyl 4-[5-ethyl-1-(4-methylphenyl)pyrazol-4-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[5-ethyl-1-(4-methylphenyl)pyrazol-4-yl]carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-[5-ethyl-1-(p-tolyl)pyrazole-4-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[5-ethyl-1-(4-methylphenyl)-4-pyrazolyl]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[5-ethyl-1-(4-methylphenyl)pyrazole-4-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[5-ethyl-1-(p-tolyl)pyrazole-4-carbonyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C22H30N4O3 MolecularWeight: 398.4986

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=NN1C2=CC=C(C=C2)C)C(=O)N3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CCC1=C(C=NN1C2=CC=C(C=C2)C)C(=O)N3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C22H30N4O3/c1-6-19-18(15-23-26(19)17-9-7-16(2)8-10-17)20(27)24-11-13-25(14-12-24)21(28)29-22(3,4)5/h7-10,15H,6,11-14H2,1-5H3