4-chloranyl-N-[5-(2-fluorophenyl)-1-methyl-4-oxidanidyl-2-oxidanylidene-3H-1,4-benzodiazepin-4-ium-3-yl]benzamide

Systemtic Name: 4-chloranyl-N-[5-(2-fluorophenyl)-1-methyl-4-oxidanidyl-2-oxidanylidene-3H-1,4-benzodiazepin-4-ium-3-yl]benzamide Openeye Name: 4-chloro-N-[5-(2-fluorophenyl)-1-methyl-4-oxido-2-oxo-3H-1,4-benzodiazepin-4-ium-3-yl]benzamide CAS Name: 4-chloro-N-[5-(2-fluorophenyl)-1-methyl-4-oxido-2-oxo-3H-1,4-benzodiazepin-4-ium-3-yl]benzamide IUPAC Name: 4-chloro-N-[5-(2-fluorophenyl)-1-methyl-4-oxido-2-oxo-3H-1,4-benzodiazepin-4-ium-3-yl]benzamide Traditional Name: 4-chloro-N-[5-(2-fluorophenyl)-2-keto-1-methyl-4-oxido-3H-1,4-benzodiazepin-4-ium-3-yl]benzamide Formula: C23H17ClFN3O3 MolecularWeight: 437.850783

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=[N+](C(C1=O)NC(=O)C3=CC=C(C=C3)Cl)[O-])C4=CC=CC=C4F

Isomeric SMILES

CN1C2=CC=CC=C2C(=[N+](C(C1=O)NC(=O)C3=CC=C(C=C3)Cl)[O-])C4=CC=CC=C4F

InChI

InChI=1S/C23H17ClFN3O3/c1-27-19-9-5-3-7-17(19)20(16-6-2-4-8-18(16)25)28(31)21(23(27)30)26-22(29)14-10-12-15(24)13-11-14/h2-13,21H,1H3,(H,26,29)