1-methyl-5-phenyl-7-(trifluoromethyloxy)-3,4-dihydro-1,4-benzodiazepin-1-ium-2-one

Systemtic Name: 1-methyl-5-phenyl-7-(trifluoromethyloxy)-3,4-dihydro-1,4-benzodiazepin-1-ium-2-one Openeye Name: 1-methyl-5-phenyl-7-(trifluoromethoxy)-3,4-dihydro-1,4-benzodiazepin-1-ium-2-one CAS Name: 1-methyl-5-phenyl-7-(trifluoromethoxy)-3,4-dihydro-1,4-benzodiazepin-1-ium-2-one IUPAC Name: 1-methyl-5-phenyl-7-(trifluoromethoxy)-3,4-dihydro-1,4-benzodiazepin-1-ium-2-one Traditional Name: 1-methyl-5-phenyl-7-(trifluoromethoxy)-3,4-dihydro-1,4-benzodiazepin-1-ium-2-one Formula: C17H14F3N2O2+ MolecularWeight: 335.30047

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C2C=CC(=CC2=C(NCC1=O)C3=CC=CC=C3)OC(F)(F)F

Isomeric SMILES

C[N+]1=C2C=CC(=CC2=C(NCC1=O)C3=CC=CC=C3)OC(F)(F)F

InChI

InChI=1S/C17H13F3N2O2/c1-22-14-8-7-12(24-17(18,19)20)9-13(14)16(21-10-15(22)23)11-5-3-2-4-6-11/h2-9H,10H2,1H3/p+1