7-methyl-4-[3-(1-oxidanidylpyridin-1-ium-3-yl)phenyl]-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-one

Systemtic Name: 7-methyl-4-[3-(1-oxidanidylpyridin-1-ium-3-yl)phenyl]-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-one Openeye Name: 7-methyl-4-[3-(1-oxidopyridin-1-ium-3-yl)phenyl]-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-one CAS Name: 7-methyl-4-[3-(1-oxido-3-pyridin-1-iumyl)phenyl]-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-one IUPAC Name: 7-methyl-4-[3-(1-oxidopyridin-1-ium-3-yl)phenyl]-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-one Traditional Name: 7-methyl-4-[3-(1-oxidopyridin-1-ium-3-yl)phenyl]-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-one Formula: C22H16F3N3O2 MolecularWeight: 411.37655

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C(F)(F)F)NC(=O)CC(=N2)C3=CC=CC(=C3)C4=C[N+](=CC=C4)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1C(F)(F)F)NC(=O)CC(=N2)C3=CC=CC(=C3)C4=C[N+](=CC=C4)[O-]

InChI

InChI=1S/C22H16F3N3O2/c1-13-8-19-20(10-17(13)22(23,24)25)27-21(29)11-18(26-19)15-5-2-4-14(9-15)16-6-3-7-28(30)12-16/h2-10,12H,11H2,1H3,(H,27,29)