3-azanyl-1-methyl-5-[3-(trifluoromethyl)phenyl]-3H-1,4-benzodiazepin-2-one hydrobromide

Systemtic Name: 3-azanyl-1-methyl-5-[3-(trifluoromethyl)phenyl]-3H-1,4-benzodiazepin-2-one hydrobromide Openeye Name: 3-amino-1-methyl-5-[3-(trifluoromethyl)phenyl]-3H-1,4-benzodiazepin-2-one hydrobromide CAS Name: 3-amino-1-methyl-5-[3-(trifluoromethyl)phenyl]-3H-1,4-benzodiazepin-2-one hydrobromide IUPAC Name: 3-amino-1-methyl-5-[3-(trifluoromethyl)phenyl]-3H-1,4-benzodiazepin-2-one hydrobromide Traditional Name: 3-amino-1-methyl-5-[3-(trifluoromethyl)phenyl]-3H-1,4-benzodiazepin-2-one hydrobromide Formula: C17H15BrF3N3O MolecularWeight: 414.21971

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=NC(C1=O)N)C3=CC(=CC=C3)C(F)(F)F.Br

Isomeric SMILES

CN1C2=CC=CC=C2C(=NC(C1=O)N)C3=CC(=CC=C3)C(F)(F)F.Br

InChI

InChI=1S/C17H14F3N3O.BrH/c1-23-13-8-3-2-7-12(13)14(22-15(21)16(23)24)10-5-4-6-11(9-10)17(18,19)20;/h2-9,15H,21H2,1H3;1H