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

Systemtic Name: ethyl 1-[5-(3,4-dimethylphenyl)-2-(4-nitrophenyl)pyrazol-3-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[5-(3,4-dimethylphenyl)-2-(4-nitrophenyl)pyrazole-3-carbonyl]piperidine-3-carboxylate CAS Name: 1-[[5-(3,4-dimethylphenyl)-2-(4-nitrophenyl)-3-pyrazolyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-(3,4-dimethylphenyl)-2-(4-nitrophenyl)pyrazole-3-carbonyl]piperidine-3-carboxylate Traditional Name: 1-[5-(3,4-dimethylphenyl)-2-(4-nitrophenyl)pyrazole-3-carbonyl]nipecotic acid ethyl ester Formula: C26H28N4O5 MolecularWeight: 476.52432

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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(=C(C=C4)C)C

Isomeric SMILES

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

InChI

InChI=1S/C26H28N4O5/c1-4-35-26(32)20-6-5-13-28(16-20)25(31)24-15-23(19-8-7-17(2)18(3)14-19)27-29(24)21-9-11-22(12-10-21)30(33)34/h7-12,14-15,20H,4-6,13,16H2,1-3H3