1-(2-dimethylaminoethyl)-5-phenyl-7-(trifluoromethyl)-3,4-dihydro-1,4-benzodiazepin-1-ium-2-one

Systemtic Name: 1-(2-dimethylaminoethyl)-5-phenyl-7-(trifluoromethyl)-3,4-dihydro-1,4-benzodiazepin-1-ium-2-one Openeye Name: 1-(2-dimethylaminoethyl)-5-phenyl-7-(trifluoromethyl)-3,4-dihydro-1,4-benzodiazepin-1-ium-2-one CAS Name: 1-(2-dimethylaminoethyl)-5-phenyl-7-(trifluoromethyl)-3,4-dihydro-1,4-benzodiazepin-1-ium-2-one IUPAC Name: 1-(2-dimethylaminoethyl)-5-phenyl-7-(trifluoromethyl)-3,4-dihydro-1,4-benzodiazepin-1-ium-2-one Traditional Name: 1-(2-dimethylaminoethyl)-5-phenyl-7-(trifluoromethyl)-3,4-dihydro-1,4-benzodiazepin-1-ium-2-one Formula: C20H21F3N3O+ MolecularWeight: 376.39545

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20F3N3O/c1-25(2)10-11-26-17-9-8-15(20(21,22)23)12-16(17)19(24-13-18(26)27)14-6-4-3-5-7-14/h3-9,12H,10-11,13H2,1-2H3/p+1