4-oxidanylidene-1-phenyl-3,5-bis[[3-(trifluoromethyl)phenyl]methylidene]cyclohexane-1-carbonitrile

Systemtic Name: 4-oxidanylidene-1-phenyl-3,5-bis[[3-(trifluoromethyl)phenyl]methylidene]cyclohexane-1-carbonitrile Openeye Name: 4-oxo-1-phenyl-3,5-bis[[3-(trifluoromethyl)phenyl]methylene]cyclohexanecarbonitrile CAS Name: 4-oxo-1-phenyl-3,5-bis[[3-(trifluoromethyl)phenyl]methylidene]-1-cyclohexanecarbonitrile IUPAC Name: 4-oxo-1-phenyl-3,5-bis[[3-(trifluoromethyl)phenyl]methylidene]cyclohexane-1-carbonitrile Traditional Name: 4-keto-1-phenyl-3,5-bis[3-(trifluoromethyl)benzylidene]cyclohexanecarbonitrile Formula: C29H19F6NO MolecularWeight: 511.457679

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=CC2=CC(=CC=C2)C(F)(F)F)C(=O)C(=CC3=CC(=CC=C3)C(F)(F)F)CC1(C#N)C4=CC=CC=C4

Isomeric SMILES

C1C(=CC2=CC(=CC=C2)C(F)(F)F)C(=O)C(=CC3=CC(=CC=C3)C(F)(F)F)CC1(C#N)C4=CC=CC=C4

InChI

InChI=1S/C29H19F6NO/c30-28(31,32)24-10-4-6-19(14-24)12-21-16-27(18-36,23-8-2-1-3-9-23)17-22(26(21)37)13-20-7-5-11-25(15-20)29(33,34)35/h1-15H,16-17H2