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

Systemtic Name: ethyl 1-[4-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)phenyl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[4-(4-chloro-3,5-dimethyl-pyrazol-1-yl)benzoyl]piperidine-4-carboxylate CAS Name: 1-[[4-(4-chloro-3,5-dimethyl-1-pyrazolyl)phenyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoyl]piperidine-4-carboxylate Traditional Name: 1-[4-(4-chloro-3,5-dimethyl-pyrazol-1-yl)benzoyl]isonipecotic acid ethyl ester Formula: C20H24ClN3O3 MolecularWeight: 389.87586

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24ClN3O3/c1-4-27-20(26)16-9-11-23(12-10-16)19(25)15-5-7-17(8-6-15)24-14(3)18(21)13(2)22-24/h5-8,16H,4,9-12H2,1-3H3