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

Systemtic Name: tert-butyl 4-[4-[(3-ethylphenyl)carbamoyl]-2-(4-nitrophenyl)pyrazol-3-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-[(3-ethylphenyl)carbamoyl]-2-(4-nitrophenyl)pyrazol-3-yl]piperidine-1-carboxylate CAS Name: 4-[4-[(3-ethylanilino)-oxomethyl]-2-(4-nitrophenyl)-3-pyrazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[(3-ethylphenyl)carbamoyl]-2-(4-nitrophenyl)pyrazol-3-yl]piperidine-1-carboxylate Traditional Name: 4-[4-[(3-ethylphenyl)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:

CCC1=CC(=CC=C1)NC(=O)C2=C(N(N=C2)C3=CC=C(C=C3)[N+](=O)[O-])C4CCN(CC4)C(=O)OC(C)(C)C

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=O)C2=C(N(N=C2)C3=CC=C(C=C3)[N+](=O)[O-])C4CCN(CC4)C(=O)OC(C)(C)C

InChI

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