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

Systemtic Name: ethyl 1-[3-[(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)methyl]phenyl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[3-[(4-chloro-3,5-dimethyl-pyrazol-1-yl)methyl]benzoyl]piperidine-4-carboxylate CAS Name: 1-[[3-[(4-chloro-3,5-dimethyl-1-pyrazolyl)methyl]phenyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]benzoyl]piperidine-4-carboxylate Traditional Name: 1-[3-[(4-chloro-3,5-dimethyl-pyrazol-1-yl)methyl]benzoyl]isonipecotic acid ethyl ester Formula: C21H26ClN3O3 MolecularWeight: 403.90244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26ClN3O3/c1-4-28-21(27)17-8-10-24(11-9-17)20(26)18-7-5-6-16(12-18)13-25-15(3)19(22)14(2)23-25/h5-7,12,17H,4,8-11,13H2,1-3H3