[2-(2-methylpiperidin-1-yl)-2-oxidanylidene-ethyl] 4-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)benzoate

Systemtic Name: [2-(2-methylpiperidin-1-yl)-2-oxidanylidene-ethyl] 4-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)benzoate Openeye Name: [2-(2-methyl-1-piperidyl)-2-oxo-ethyl] 4-(4-chloro-3,5-dimethyl-pyrazol-1-yl)benzoate CAS Name: 4-(4-chloro-3,5-dimethyl-1-pyrazolyl)benzoic acid [2-(2-methyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(2-methylpiperidin-1-yl)-2-oxoethyl] 4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoate Traditional Name: 4-(4-chloro-3,5-dimethyl-pyrazol-1-yl)benzoic acid [2-keto-2-(2-methylpiperidino)ethyl] ester Formula: C20H24ClN3O3 MolecularWeight: 389.87586

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=O)COC(=O)C2=CC=C(C=C2)N3C(=C(C(=N3)C)Cl)C

Isomeric SMILES

CC1CCCCN1C(=O)COC(=O)C2=CC=C(C=C2)N3C(=C(C(=N3)C)Cl)C

InChI

InChI=1S/C20H24ClN3O3/c1-13-6-4-5-11-23(13)18(25)12-27-20(26)16-7-9-17(10-8-16)24-15(3)19(21)14(2)22-24/h7-10,13H,4-6,11-12H2,1-3H3