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

Systemtic Name: (5S)-7-chloranyl-5-(2-cyclopropylethynyl)-5-(trifluoromethyl)-1H-1,4-benzodiazepin-2-one Openeye Name: (5S)-7-chloro-5-(2-cyclopropylethynyl)-5-(trifluoromethyl)-1H-1,4-benzodiazepin-2-one CAS Name: (5S)-7-chloro-5-(2-cyclopropylethynyl)-5-(trifluoromethyl)-1H-1,4-benzodiazepin-2-one IUPAC Name: (5S)-7-chloro-5-(2-cyclopropylethynyl)-5-(trifluoromethyl)-1H-1,4-benzodiazepin-2-one Traditional Name: (5S)-7-chloro-5-(2-cyclopropylethynyl)-5-(trifluoromethyl)-1H-1,4-benzodiazepin-2-one Formula: C15H10ClF3N2O MolecularWeight: 326.70091

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C#CC2(C3=C(C=CC(=C3)Cl)NC(=O)C=N2)C(F)(F)F

Isomeric SMILES

C1CC1C#C[C@]2(C3=C(C=CC(=C3)Cl)NC(=O)C=N2)C(F)(F)F

InChI

InChI=1S/C15H10ClF3N2O/c16-10-3-4-12-11(7-10)14(15(17,18)19,6-5-9-1-2-9)20-8-13(22)21-12/h3-4,7-9H,1-2H2,(H,21,22)/t14-/m0/s1