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

Systemtic Name: ethyl 1-[3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)propanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)propanoyl]piperidine-4-carboxylate CAS Name: 1-[3-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-1-oxopropyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanoyl]piperidine-4-carboxylate Traditional Name: 1-[3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)propanoyl]isonipecotic acid ethyl ester Formula: C22H29N3O3 MolecularWeight: 383.48396

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)CCC2=C(N(N=C2C)C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)CCC2=C(N(N=C2C)C3=CC=CC=C3)C

InChI

InChI=1S/C22H29N3O3/c1-4-28-22(27)18-12-14-24(15-13-18)21(26)11-10-20-16(2)23-25(17(20)3)19-8-6-5-7-9-19/h5-9,18H,4,10-15H2,1-3H3