ethyl 1-[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-oxidanylidene-ethanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-oxidanylidene-ethanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-oxo-acetyl]piperidine-4-carboxylate CAS Name: 1-[2-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-1,2-dioxoethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetyl]piperidine-4-carboxylate Traditional Name: 1-[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-keto-acetyl]isonipecotic acid ethyl ester Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C(=O)C2=C(N(N=C2C)C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C(=O)C2=C(N(N=C2C)C3=CC=CC=C3)C

InChI

InChI=1S/C21H25N3O4/c1-4-28-21(27)16-10-12-23(13-11-16)20(26)19(25)18-14(2)22-24(15(18)3)17-8-6-5-7-9-17/h5-9,16H,4,10-13H2,1-3H3