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

Systemtic Name: 5-(2-cyclopropylethynyl)-3-ethyl-5-(trifluoromethyl)-1H-1,4-benzodiazepin-2-one Openeye Name: 5-(2-cyclopropylethynyl)-3-ethyl-5-(trifluoromethyl)-1H-1,4-benzodiazepin-2-one CAS Name: 5-(2-cyclopropylethynyl)-3-ethyl-5-(trifluoromethyl)-1H-1,4-benzodiazepin-2-one IUPAC Name: 5-(2-cyclopropylethynyl)-3-ethyl-5-(trifluoromethyl)-1H-1,4-benzodiazepin-2-one Traditional Name: 5-(2-cyclopropylethynyl)-3-ethyl-5-(trifluoromethyl)-1H-1,4-benzodiazepin-2-one Formula: C17H15F3N2O MolecularWeight: 320.30901

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(C2=CC=CC=C2NC1=O)(C#CC3CC3)C(F)(F)F

Isomeric SMILES

CCC1=NC(C2=CC=CC=C2NC1=O)(C#CC3CC3)C(F)(F)F

InChI

InChI=1S/C17H15F3N2O/c1-2-13-15(23)21-14-6-4-3-5-12(14)16(22-13,17(18,19)20)10-9-11-7-8-11/h3-6,11H,2,7-8H2,1H3,(H,21,23)