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

Systemtic Name: ethyl 1-[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)ethanoyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acetyl]piperidine-3-carboxylate CAS Name: 1-[2-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-1-oxoethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]piperidine-3-carboxylate Traditional Name: 1-[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acetyl]nipecotic acid ethyl ester Formula: C21H27N3O3 MolecularWeight: 369.45738

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)CC2=C(N(N=C2C)C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)CC2=C(N(N=C2C)C3=CC=CC=C3)C

InChI

InChI=1S/C21H27N3O3/c1-4-27-21(26)17-9-8-12-23(14-17)20(25)13-19-15(2)22-24(16(19)3)18-10-6-5-7-11-18/h5-7,10-11,17H,4,8-9,12-14H2,1-3H3