3-[7-(dimethylamino)-2-oxidanylidene-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-4-yl]benzenecarbonitrile

Systemtic Name: 3-[7-(dimethylamino)-2-oxidanylidene-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-4-yl]benzenecarbonitrile Openeye Name: 3-[7-(dimethylamino)-2-oxo-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile CAS Name: 3-[7-(dimethylamino)-2-oxo-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile IUPAC Name: 3-[7-(dimethylamino)-2-oxo-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile Traditional Name: 3-[7-(dimethylamino)-2-keto-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile Formula: C19H15F3N4O MolecularWeight: 372.34381

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC2=C(C=C1C(F)(F)F)NC(=O)CC(=N2)C3=CC=CC(=C3)C#N

Isomeric SMILES

CN(C)C1=CC2=C(C=C1C(F)(F)F)NC(=O)CC(=N2)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C19H15F3N4O/c1-26(2)17-8-16-15(7-13(17)19(20,21)22)25-18(27)9-14(24-16)12-5-3-4-11(6-12)10-23/h3-8H,9H2,1-2H3,(H,25,27)