ethyl 1-[3-(3,4-dimethylphenyl)-1-phenyl-pyrazol-4-yl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[3-(3,4-dimethylphenyl)-1-phenyl-pyrazol-4-yl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[3-(3,4-dimethylphenyl)-1-phenyl-pyrazole-4-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[3-(3,4-dimethylphenyl)-1-phenyl-4-pyrazolyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(3,4-dimethylphenyl)-1-phenylpyrazole-4-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[3-(3,4-dimethylphenyl)-1-phenyl-pyrazole-4-carbonyl]isonipecotic acid ethyl ester Formula: C26H29N3O3 MolecularWeight: 431.52676

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2=CN(N=C2C3=CC(=C(C=C3)C)C)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=CN(N=C2C3=CC(=C(C=C3)C)C)C4=CC=CC=C4

InChI

InChI=1S/C26H29N3O3/c1-4-32-26(31)20-12-14-28(15-13-20)25(30)23-17-29(22-8-6-5-7-9-22)27-24(23)21-11-10-18(2)19(3)16-21/h5-11,16-17,20H,4,12-15H2,1-3H3