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

Systemtic Name: [2-azanyl-1-(4-fluorophenyl)-2-oxidanylidene-ethyl] (E)-3-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)prop-2-enoate Openeye Name: [2-amino-1-(4-fluorophenyl)-2-oxo-ethyl] (E)-3-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)prop-2-enoate CAS Name: (E)-3-(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)-2-propenoic acid [2-amino-1-(4-fluorophenyl)-2-oxoethyl] ester IUPAC Name: [2-amino-1-(4-fluorophenyl)-2-oxoethyl] (E)-3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-3-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)acrylic acid [2-amino-1-(4-fluorophenyl)-2-keto-ethyl] ester Formula: C21H17ClFN3O3 MolecularWeight: 413.829383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)OC(C2=CC=C(C=C2)F)C(=O)N)Cl)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1/C=C/C(=O)OC(C2=CC=C(C=C2)F)C(=O)N)Cl)C3=CC=CC=C3

InChI

InChI=1S/C21H17ClFN3O3/c1-13-17(20(22)26(25-13)16-5-3-2-4-6-16)11-12-18(27)29-19(21(24)28)14-7-9-15(23)10-8-14/h2-12,19H,1H3,(H2,24,28)/b12-11+