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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC(=O)NC2=C(C1(C#CC3CC3)C(F)(F)F)C=C(C=C2)Cl

Isomeric SMILES

CN1CC(=O)NC2=C(C1(C#CC3CC3)C(F)(F)F)C=C(C=C2)Cl

InChI

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