tert-butyl 4-[4-[(3,4-dimethylphenyl)carbamoyl]-2-(4-nitrophenyl)pyrazol-3-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-[(3,4-dimethylphenyl)carbamoyl]-2-(4-nitrophenyl)pyrazol-3-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-[(3,4-dimethylphenyl)carbamoyl]-2-(4-nitrophenyl)pyrazol-3-yl]piperidine-1-carboxylate CAS Name: 4-[4-[(3,4-dimethylanilino)-oxomethyl]-2-(4-nitrophenyl)-3-pyrazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[(3,4-dimethylphenyl)carbamoyl]-2-(4-nitrophenyl)pyrazol-3-yl]piperidine-1-carboxylate Traditional Name: 4-[4-[(3,4-dimethylphenyl)carbamoyl]-2-(4-nitrophenyl)pyrazol-3-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C28H33N5O5 MolecularWeight: 519.59212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=C(N(N=C2)C3=CC=C(C=C3)[N+](=O)[O-])C4CCN(CC4)C(=O)OC(C)(C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=C(N(N=C2)C3=CC=C(C=C3)[N+](=O)[O-])C4CCN(CC4)C(=O)OC(C)(C)C)C

InChI

InChI=1S/C28H33N5O5/c1-18-6-7-21(16-19(18)2)30-26(34)24-17-29-32(22-8-10-23(11-9-22)33(36)37)25(24)20-12-14-31(15-13-20)27(35)38-28(3,4)5/h6-11,16-17,20H,12-15H2,1-5H3,(H,30,34)