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

Systemtic Name: ethyl 1-[4-(3-methyl-5-phenyl-pyrazol-1-yl)phenyl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[4-(3-methyl-5-phenyl-pyrazol-1-yl)benzoyl]piperidine-4-carboxylate CAS Name: 1-[[4-(3-methyl-5-phenyl-1-pyrazolyl)phenyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(3-methyl-5-phenylpyrazol-1-yl)benzoyl]piperidine-4-carboxylate Traditional Name: 1-[4-(3-methyl-5-phenyl-pyrazol-1-yl)benzoyl]isonipecotic acid ethyl ester Formula: C25H27N3O3 MolecularWeight: 417.50018

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2=CC=C(C=C2)N3C(=CC(=N3)C)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=CC=C(C=C2)N3C(=CC(=N3)C)C4=CC=CC=C4

InChI

InChI=1S/C25H27N3O3/c1-3-31-25(30)21-13-15-27(16-14-21)24(29)20-9-11-22(12-10-20)28-23(17-18(2)26-28)19-7-5-4-6-8-19/h4-12,17,21H,3,13-16H2,1-2H3