tert-butyl 4-[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-(1-benzyl-3,5-dimethyl-pyrazole-4-carbonyl)piperazine-1-carboxylate CAS Name: 4-[[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(1-benzyl-3,5-dimethylpyrazole-4-carbonyl)piperazine-1-carboxylate Traditional Name: 4-(1-benzyl-3,5-dimethyl-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:

CC1=C(C(=NN1CC2=CC=CC=C2)C)C(=O)N3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)C(=O)N3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C22H30N4O3/c1-16-19(17(2)26(23-16)15-18-9-7-6-8-10-18)20(27)24-11-13-25(14-12-24)21(28)29-22(3,4)5/h6-10H,11-15H2,1-5H3