(E)-3-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)-2-(4-fluorophenyl)carbonyl-prop-2-enenitrile

Systemtic Name: (E)-3-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)-2-(4-fluorophenyl)carbonyl-prop-2-enenitrile Openeye Name: (E)-3-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)-2-(4-fluorobenzoyl)prop-2-enenitrile CAS Name: (E)-3-(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)-2-[(4-fluorophenyl)-oxomethyl]-2-propenenitrile IUPAC Name: (E)-3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-2-(4-fluorobenzoyl)prop-2-enenitrile Traditional Name: (E)-3-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)-2-(4-fluorobenzoyl)acrylonitrile Formula: C20H13ClFN3O MolecularWeight: 365.788123

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H13ClFN3O/c1-13-18(20(21)25(24-13)17-5-3-2-4-6-17)11-15(12-23)19(26)14-7-9-16(22)10-8-14/h2-11H,1H3/b15-11+