4-[7-methoxy-2-oxidanylidene-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-4-yl]pyridine-2-carbonitrile

Systemtic Name: 4-[7-methoxy-2-oxidanylidene-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-4-yl]pyridine-2-carbonitrile Openeye Name: 4-[7-methoxy-2-oxo-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-4-yl]pyridine-2-carbonitrile CAS Name: 4-[7-methoxy-2-oxo-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-4-yl]-2-pyridinecarbonitrile IUPAC Name: 4-[7-methoxy-2-oxo-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-4-yl]pyridine-2-carbonitrile Traditional Name: 4-[2-keto-7-methoxy-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-4-yl]picolinonitrile Formula: C17H11F3N4O2 MolecularWeight: 360.29005

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1C(F)(F)F)NC(=O)CC(=N2)C3=CC(=NC=C3)C#N

Isomeric SMILES

COC1=CC2=C(C=C1C(F)(F)F)NC(=O)CC(=N2)C3=CC(=NC=C3)C#N

InChI

InChI=1S/C17H11F3N4O2/c1-26-15-6-14-13(5-11(15)17(18,19)20)24-16(25)7-12(23-14)9-2-3-22-10(4-9)8-21/h2-6H,7H2,1H3,(H,24,25)