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

Systemtic Name: 5-(2-cyclopropylethynyl)-3-methyl-5-(trifluoromethyl)-1H-1,4-benzodiazepin-2-one Openeye Name: 5-(2-cyclopropylethynyl)-3-methyl-5-(trifluoromethyl)-1H-1,4-benzodiazepin-2-one CAS Name: 5-(2-cyclopropylethynyl)-3-methyl-5-(trifluoromethyl)-1H-1,4-benzodiazepin-2-one IUPAC Name: 5-(2-cyclopropylethynyl)-3-methyl-5-(trifluoromethyl)-1H-1,4-benzodiazepin-2-one Traditional Name: 5-(2-cyclopropylethynyl)-3-methyl-5-(trifluoromethyl)-1H-1,4-benzodiazepin-2-one Formula: C16H13F3N2O MolecularWeight: 306.28243

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(C2=CC=CC=C2NC1=O)(C#CC3CC3)C(F)(F)F

Isomeric SMILES

CC1=NC(C2=CC=CC=C2NC1=O)(C#CC3CC3)C(F)(F)F

InChI

InChI=1S/C16H13F3N2O/c1-10-14(22)20-13-5-3-2-4-12(13)15(21-10,16(17,18)19)9-8-11-6-7-11/h2-5,11H,6-7H2,1H3,(H,20,22)