tert-butyl 4-[[3-(4-methylphenyl)-1H-pyrazol-5-yl]carbonyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[[3-(4-methylphenyl)-1H-pyrazol-5-yl]carbonyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[3-(p-tolyl)-1H-pyrazole-5-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[3-(4-methylphenyl)-1H-pyrazol-5-yl]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[3-(p-tolyl)-1H-pyrazole-5-carbonyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C20H26N4O3 MolecularWeight: 370.44544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NNC(=C2)C(=O)N3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NNC(=C2)C(=O)N3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C20H26N4O3/c1-14-5-7-15(8-6-14)16-13-17(22-21-16)18(25)23-9-11-24(12-10-23)19(26)27-20(2,3)4/h5-8,13H,9-12H2,1-4H3,(H,21,22)