tert-butyl 4-[4-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-3-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-3-yl]carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-(3,4-dimethoxyphenyl)-1-phenyl-pyrazole-3-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[4-(3,4-dimethoxyphenyl)-1-phenyl-3-pyrazolyl]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(3,4-dimethoxyphenyl)-1-phenylpyrazole-3-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[4-(3,4-dimethoxyphenyl)-1-phenyl-pyrazole-3-carbonyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C27H32N4O5 MolecularWeight: 492.56678

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=NN(C=C2C3=CC(=C(C=C3)OC)OC)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=NN(C=C2C3=CC(=C(C=C3)OC)OC)C4=CC=CC=C4

InChI

InChI=1S/C27H32N4O5/c1-27(2,3)36-26(33)30-15-13-29(14-16-30)25(32)24-21(18-31(28-24)20-9-7-6-8-10-20)19-11-12-22(34-4)23(17-19)35-5/h6-12,17-18H,13-16H2,1-5H3