ethyl 1-[4-[(4-chloranylpyrazol-1-yl)methyl]phenyl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[4-[(4-chloranylpyrazol-1-yl)methyl]phenyl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[4-[(4-chloropyrazol-1-yl)methyl]benzoyl]piperidine-4-carboxylate CAS Name: 1-[[4-[(4-chloro-1-pyrazolyl)methyl]phenyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-[(4-chloropyrazol-1-yl)methyl]benzoyl]piperidine-4-carboxylate Traditional Name: 1-[4-[(4-chloropyrazol-1-yl)methyl]benzoyl]isonipecotic acid ethyl ester Formula: C19H22ClN3O3 MolecularWeight: 375.84928

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2=CC=C(C=C2)CN3C=C(C=N3)Cl

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=CC=C(C=C2)CN3C=C(C=N3)Cl

InChI

InChI=1S/C19H22ClN3O3/c1-2-26-19(25)16-7-9-22(10-8-16)18(24)15-5-3-14(4-6-15)12-23-13-17(20)11-21-23/h3-6,11,13,16H,2,7-10,12H2,1H3