2-[[3,5-bis(trifluoromethyl)phenyl]amino]-2-(3-tert-butyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)ethanenitrile

Systemtic Name: 2-[[3,5-bis(trifluoromethyl)phenyl]amino]-2-(3-tert-butyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)ethanenitrile Openeye Name: 2-[3,5-bis(trifluoromethyl)anilino]-2-(3-tert-butyl-5-oxo-1-phenyl-pyrazol-4-ylidene)acetonitrile CAS Name: 2-[3,5-bis(trifluoromethyl)anilino]-2-(3-tert-butyl-5-oxo-1-phenyl-4-pyrazolylidene)acetonitrile IUPAC Name: 2-[3,5-bis(trifluoromethyl)anilino]-2-(3-tert-butyl-5-oxo-1-phenylpyrazol-4-ylidene)acetonitrile Traditional Name: 2-[3,5-bis(trifluoromethyl)anilino]-2-(3-tert-butyl-5-keto-1-phenyl-2-pyrazolin-4-ylidene)acetonitrile Formula: C23H18F6N4O MolecularWeight: 480.405639

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=O)C1=C(C#N)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=NN(C(=O)C1=C(C#N)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C3=CC=CC=C3

InChI

InChI=1S/C23H18F6N4O/c1-21(2,3)19-18(20(34)33(32-19)16-7-5-4-6-8-16)17(12-30)31-15-10-13(22(24,25)26)9-14(11-15)23(27,28)29/h4-11,31H,1-3H3