7-chloranyl-1-methyl-5-[1,1,1-tris(fluoranyl)propan-2-yloxy]-3H-1,4-benzodiazepin-2-one

Systemtic Name: 7-chloranyl-1-methyl-5-[1,1,1-tris(fluoranyl)propan-2-yloxy]-3H-1,4-benzodiazepin-2-one Openeye Name: 7-chloro-1-methyl-5-(2,2,2-trifluoro-1-methyl-ethoxy)-3H-1,4-benzodiazepin-2-one CAS Name: 7-chloro-1-methyl-5-(1,1,1-trifluoropropan-2-yloxy)-3H-1,4-benzodiazepin-2-one IUPAC Name: 7-chloro-1-methyl-5-(1,1,1-trifluoropropan-2-yloxy)-3H-1,4-benzodiazepin-2-one Traditional Name: 7-chloro-1-methyl-5-(2,2,2-trifluoro-1-methyl-ethoxy)-3H-1,4-benzodiazepin-2-one Formula: C13H12ClF3N2O2 MolecularWeight: 320.69479

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(F)(F)F)OC1=NCC(=O)N(C2=C1C=C(C=C2)Cl)C

Isomeric SMILES

CC(C(F)(F)F)OC1=NCC(=O)N(C2=C1C=C(C=C2)Cl)C

InChI

InChI=1S/C13H12ClF3N2O2/c1-7(13(15,16)17)21-12-9-5-8(14)3-4-10(9)19(2)11(20)6-18-12/h3-5,7H,6H2,1-2H3