tert-butyl 4-[3-(3-methoxyphenyl)-1-(phenylmethyl)pyrazol-4-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-(3-methoxyphenyl)-1-(phenylmethyl)pyrazol-4-yl]carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-[1-benzyl-3-(3-methoxyphenyl)pyrazole-4-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[3-(3-methoxyphenyl)-1-(phenylmethyl)-4-pyrazolyl]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[1-benzyl-3-(3-methoxyphenyl)pyrazole-4-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[1-benzyl-3-(3-methoxyphenyl)pyrazole-4-carbonyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C27H32N4O4 MolecularWeight: 476.56738

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=CN(N=C2C3=CC(=CC=C3)OC)CC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=CN(N=C2C3=CC(=CC=C3)OC)CC4=CC=CC=C4

InChI

InChI=1S/C27H32N4O4/c1-27(2,3)35-26(33)30-15-13-29(14-16-30)25(32)23-19-31(18-20-9-6-5-7-10-20)28-24(23)21-11-8-12-22(17-21)34-4/h5-12,17,19H,13-16,18H2,1-4H3