5-[3-[2-oxidanylidene-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-4-yl]phenyl]pyridine-2-carbonitrile

Systemtic Name: 5-[3-[2-oxidanylidene-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-4-yl]phenyl]pyridine-2-carbonitrile Openeye Name: 5-[3-[2-oxo-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-4-yl]phenyl]pyridine-2-carbonitrile CAS Name: 5-[3-[2-oxo-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-4-yl]phenyl]-2-pyridinecarbonitrile IUPAC Name: 5-[3-[2-oxo-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-4-yl]phenyl]pyridine-2-carbonitrile Traditional Name: 5-[3-[2-keto-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-4-yl]phenyl]picolinonitrile Formula: C22H13F3N4O MolecularWeight: 406.36003

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H13F3N4O/c23-22(24,25)16-5-7-18-20(9-16)29-21(30)10-19(28-18)14-3-1-2-13(8-14)15-4-6-17(11-26)27-12-15/h1-9,12H,10H2,(H,29,30)