ethyl 1-[2-(4-nitrophenyl)-5-phenyl-pyrazol-3-yl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-[2-(4-nitrophenyl)-5-phenyl-pyrazol-3-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[2-(4-nitrophenyl)-5-phenyl-pyrazole-3-carbonyl]piperidine-3-carboxylate CAS Name: 1-[[2-(4-nitrophenyl)-5-phenyl-3-pyrazolyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(4-nitrophenyl)-5-phenylpyrazole-3-carbonyl]piperidine-3-carboxylate Traditional Name: 1-[2-(4-nitrophenyl)-5-phenyl-pyrazole-3-carbonyl]nipecotic acid ethyl ester Formula: C24H24N4O5 MolecularWeight: 448.47116

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=CC(=NN2C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=CC(=NN2C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C24H24N4O5/c1-2-33-24(30)18-9-6-14-26(16-18)23(29)22-15-21(17-7-4-3-5-8-17)25-27(22)19-10-12-20(13-11-19)28(31)32/h3-5,7-8,10-13,15,18H,2,6,9,14,16H2,1H3