tert-butyl 4-[5-methyl-1-(3-methylphenyl)pyrazol-4-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[5-methyl-1-(3-methylphenyl)pyrazol-4-yl]carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-[5-methyl-1-(m-tolyl)pyrazole-4-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[5-methyl-1-(3-methylphenyl)-4-pyrazolyl]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[5-methyl-1-(3-methylphenyl)pyrazole-4-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[5-methyl-1-(m-tolyl)pyrazole-4-carbonyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C21H28N4O3 MolecularWeight: 384.47202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=C(C=N2)C(=O)N3CCN(CC3)C(=O)OC(C)(C)C)C

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=C(C=N2)C(=O)N3CCN(CC3)C(=O)OC(C)(C)C)C

InChI

InChI=1S/C21H28N4O3/c1-15-7-6-8-17(13-15)25-16(2)18(14-22-25)19(26)23-9-11-24(12-10-23)20(27)28-21(3,4)5/h6-8,13-14H,9-12H2,1-5H3