7-chloranyl-5-(2-cyclopropylethynyl)-3-methyl-5-(trifluoromethyl)-1H-1,4-benzodiazepin-2-one

Systemtic Name: 7-chloranyl-5-(2-cyclopropylethynyl)-3-methyl-5-(trifluoromethyl)-1H-1,4-benzodiazepin-2-one Openeye Name: 7-chloro-5-(2-cyclopropylethynyl)-3-methyl-5-(trifluoromethyl)-1H-1,4-benzodiazepin-2-one CAS Name: 7-chloro-5-(2-cyclopropylethynyl)-3-methyl-5-(trifluoromethyl)-1H-1,4-benzodiazepin-2-one IUPAC Name: 7-chloro-5-(2-cyclopropylethynyl)-3-methyl-5-(trifluoromethyl)-1H-1,4-benzodiazepin-2-one Traditional Name: 7-chloro-5-(2-cyclopropylethynyl)-3-methyl-5-(trifluoromethyl)-1H-1,4-benzodiazepin-2-one Formula: C16H12ClF3N2O MolecularWeight: 340.72749

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(C2=C(C=CC(=C2)Cl)NC1=O)(C#CC3CC3)C(F)(F)F

Isomeric SMILES

CC1=NC(C2=C(C=CC(=C2)Cl)NC1=O)(C#CC3CC3)C(F)(F)F

InChI

InChI=1S/C16H12ClF3N2O/c1-9-14(23)21-13-5-4-11(17)8-12(13)15(22-9,16(18,19)20)7-6-10-2-3-10/h4-5,8,10H,2-3H2,1H3,(H,21,23)