(E)-2-[2,4-bis(fluoranyl)phenyl]carbonyl-3-[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]prop-2-enenitrile

Systemtic Name: (E)-2-[2,4-bis(fluoranyl)phenyl]carbonyl-3-[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]prop-2-enenitrile Openeye Name: (E)-2-(2,4-difluorobenzoyl)-3-[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]prop-2-enenitrile CAS Name: (E)-2-[(2,4-difluorophenyl)-oxomethyl]-3-[4-[3-methyl-5-(trifluoromethyl)-1-pyrazolyl]phenyl]-2-propenenitrile IUPAC Name: (E)-2-(2,4-difluorobenzoyl)-3-[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]prop-2-enenitrile Traditional Name: (E)-2-(2,4-difluorobenzoyl)-3-[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]acrylonitrile Formula: C21H12F5N3O MolecularWeight: 417.331496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H12F5N3O/c1-12-8-19(21(24,25)26)29(28-12)16-5-2-13(3-6-16)9-14(11-27)20(30)17-7-4-15(22)10-18(17)23/h2-10H,1H3/b14-9+