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

Systemtic Name: 7-ethoxy-4-[3-(2-methyl-1-oxidanidyl-pyridin-1-ium-4-yl)phenyl]-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-one Openeye Name: 7-ethoxy-4-[3-(2-methyl-1-oxido-pyridin-1-ium-4-yl)phenyl]-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-one CAS Name: 7-ethoxy-4-[3-(2-methyl-1-oxido-4-pyridin-1-iumyl)phenyl]-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-one IUPAC Name: 7-ethoxy-4-[3-(2-methyl-1-oxidopyridin-1-ium-4-yl)phenyl]-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-one Traditional Name: 7-ethoxy-4-[3-(2-methyl-1-oxido-pyridin-1-ium-4-yl)phenyl]-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-one Formula: C24H20F3N3O3 MolecularWeight: 455.42911

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1C(F)(F)F)NC(=O)CC(=N2)C3=CC=CC(=C3)C4=CC(=[N+](C=C4)[O-])C

Isomeric SMILES

CCOC1=CC2=C(C=C1C(F)(F)F)NC(=O)CC(=N2)C3=CC=CC(=C3)C4=CC(=[N+](C=C4)[O-])C

InChI

InChI=1S/C24H20F3N3O3/c1-3-33-22-12-21-20(11-18(22)24(25,26)27)29-23(31)13-19(28-21)17-6-4-5-15(10-17)16-7-8-30(32)14(2)9-16/h4-12H,3,13H2,1-2H3,(H,29,31)