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

Systemtic Name: 7-chloranyl-5-(2-cyclopropylethynyl)-3-methyl-5-(trifluoromethyl)-1,4-dihydro-1,3-benzodiazepin-2-one Openeye Name: 7-chloro-5-(2-cyclopropylethynyl)-3-methyl-5-(trifluoromethyl)-1,4-dihydro-1,3-benzodiazepin-2-one CAS Name: 7-chloro-5-(2-cyclopropylethynyl)-3-methyl-5-(trifluoromethyl)-1,4-dihydro-1,3-benzodiazepin-2-one IUPAC Name: 7-chloro-5-(2-cyclopropylethynyl)-3-methyl-5-(trifluoromethyl)-1,4-dihydro-1,3-benzodiazepin-2-one Traditional Name: 7-chloro-5-(2-cyclopropylethynyl)-3-methyl-5-(trifluoromethyl)-1,4-dihydro-1,3-benzodiazepin-2-one Formula: C16H14ClF3N2O MolecularWeight: 342.74337

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CC(C2=C(C=CC(=C2)Cl)NC1=O)(C#CC3CC3)C(F)(F)F

Isomeric SMILES

CN1CC(C2=C(C=CC(=C2)Cl)NC1=O)(C#CC3CC3)C(F)(F)F

InChI

InChI=1S/C16H14ClF3N2O/c1-22-9-15(16(18,19)20,7-6-10-2-3-10)12-8-11(17)4-5-13(12)21-14(22)23/h4-5,8,10H,2-3,9H2,1H3,(H,21,23)