3-[2-oxidanylidene-8-[4-(trifluoromethyloxy)phenyl]-1,3-dihydro-1,5-benzodiazepin-4-yl]benzenecarbonitrile

Systemtic Name: 3-[2-oxidanylidene-8-[4-(trifluoromethyloxy)phenyl]-1,3-dihydro-1,5-benzodiazepin-4-yl]benzenecarbonitrile Openeye Name: 3-[2-oxo-8-[4-(trifluoromethoxy)phenyl]-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile CAS Name: 3-[2-oxo-8-[4-(trifluoromethoxy)phenyl]-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile IUPAC Name: 3-[2-oxo-8-[4-(trifluoromethoxy)phenyl]-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile Traditional Name: 3-[2-keto-8-[4-(trifluoromethoxy)phenyl]-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile Formula: C23H14F3N3O2 MolecularWeight: 421.37137

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NC2=C(C=C(C=C2)C3=CC=C(C=C3)OC(F)(F)F)NC1=O)C4=CC=CC(=C4)C#N

Isomeric SMILES

C1C(=NC2=C(C=C(C=C2)C3=CC=C(C=C3)OC(F)(F)F)NC1=O)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C23H14F3N3O2/c24-23(25,26)31-18-7-4-15(5-8-18)16-6-9-19-21(11-16)29-22(30)12-20(28-19)17-3-1-2-14(10-17)13-27/h1-11H,12H2,(H,29,30)