[2-(2-ethylpiperidin-1-yl)-2-oxidanylidene-ethyl] (E)-3-[5-chloranyl-1-(4-fluorophenyl)-3-methyl-pyrazol-4-yl]prop-2-enoate

Systemtic Name: [2-(2-ethylpiperidin-1-yl)-2-oxidanylidene-ethyl] (E)-3-[5-chloranyl-1-(4-fluorophenyl)-3-methyl-pyrazol-4-yl]prop-2-enoate Openeye Name: [2-(2-ethyl-1-piperidyl)-2-oxo-ethyl] (E)-3-[5-chloro-1-(4-fluorophenyl)-3-methyl-pyrazol-4-yl]prop-2-enoate CAS Name: (E)-3-[5-chloro-1-(4-fluorophenyl)-3-methyl-4-pyrazolyl]-2-propenoic acid [2-(2-ethyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(2-ethylpiperidin-1-yl)-2-oxoethyl] (E)-3-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]prop-2-enoate Traditional Name: (E)-3-[5-chloro-1-(4-fluorophenyl)-3-methyl-pyrazol-4-yl]acrylic acid [2-(2-ethylpiperidino)-2-keto-ethyl] ester Formula: C22H25ClFN3O3 MolecularWeight: 433.903603

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C(=O)COC(=O)C=CC2=C(N(N=C2C)C3=CC=C(C=C3)F)Cl

Isomeric SMILES

CCC1CCCCN1C(=O)COC(=O)/C=C/C2=C(N(N=C2C)C3=CC=C(C=C3)F)Cl

InChI

InChI=1S/C22H25ClFN3O3/c1-3-17-6-4-5-13-26(17)20(28)14-30-21(29)12-11-19-15(2)25-27(22(19)23)18-9-7-16(24)8-10-18/h7-12,17H,3-6,13-14H2,1-2H3/b12-11+