7-chloranyl-4-oxidanidyl-5-phenyl-1-[2,2,2-tris(fluoranyl)ethyl]-3H-1,4-benzodiazepin-4-ium-2-one

Systemtic Name: 7-chloranyl-4-oxidanidyl-5-phenyl-1-[2,2,2-tris(fluoranyl)ethyl]-3H-1,4-benzodiazepin-4-ium-2-one Openeye Name: 7-chloro-4-oxido-5-phenyl-1-(2,2,2-trifluoroethyl)-3H-1,4-benzodiazepin-4-ium-2-one CAS Name: 7-chloro-4-oxido-5-phenyl-1-(2,2,2-trifluoroethyl)-3H-1,4-benzodiazepin-4-ium-2-one IUPAC Name: 7-chloro-4-oxido-5-phenyl-1-(2,2,2-trifluoroethyl)-3H-1,4-benzodiazepin-4-ium-2-one Traditional Name: 7-chloro-4-oxido-5-phenyl-1-(2,2,2-trifluoroethyl)-3H-1,4-benzodiazepin-4-ium-2-one Formula: C17H12ClF3N2O2 MolecularWeight: 368.73759

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C2=C(C=C(C=C2)Cl)C(=[N+]1[O-])C3=CC=CC=C3)CC(F)(F)F

Isomeric SMILES

C1C(=O)N(C2=C(C=C(C=C2)Cl)C(=[N+]1[O-])C3=CC=CC=C3)CC(F)(F)F

InChI

InChI=1S/C17H12ClF3N2O2/c18-12-6-7-14-13(8-12)16(11-4-2-1-3-5-11)23(25)9-15(24)22(14)10-17(19,20)21/h1-8H,9-10H2