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

Systemtic Name: 4-[7-ethoxy-2-oxidanylidene-8-(trifluoromethyl)-1,5-dihydro-1,5-benzodiazepin-4-yl]pyridine-2-carbonitrile Openeye Name: 4-[7-ethoxy-2-oxo-8-(trifluoromethyl)-1,5-dihydro-1,5-benzodiazepin-4-yl]pyridine-2-carbonitrile CAS Name: 4-[7-ethoxy-2-oxo-8-(trifluoromethyl)-1,5-dihydro-1,5-benzodiazepin-4-yl]-2-pyridinecarbonitrile IUPAC Name: 4-[7-ethoxy-2-oxo-8-(trifluoromethyl)-1,5-dihydro-1,5-benzodiazepin-4-yl]pyridine-2-carbonitrile Traditional Name: 4-[7-ethoxy-2-keto-8-(trifluoromethyl)-1,5-dihydro-1,5-benzodiazepin-4-yl]picolinonitrile Formula: C18H13F3N4O2 MolecularWeight: 374.31663

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1C(F)(F)F)NC(=O)C=C(N2)C3=CC(=NC=C3)C#N

Isomeric SMILES

CCOC1=CC2=C(C=C1C(F)(F)F)NC(=O)C=C(N2)C3=CC(=NC=C3)C#N

InChI

InChI=1S/C18H13F3N4O2/c1-2-27-16-7-15-14(6-12(16)18(19,20)21)25-17(26)8-13(24-15)10-3-4-23-11(5-10)9-22/h3-8,24H,2H2,1H3,(H,25,26)