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

Systemtic Name: 5-(2-cyclopropylethynyl)-7-methoxy-5-(trifluoromethyl)-1H-1,4-benzodiazepin-2-one Openeye Name: 5-(2-cyclopropylethynyl)-7-methoxy-5-(trifluoromethyl)-1H-1,4-benzodiazepin-2-one CAS Name: 5-(2-cyclopropylethynyl)-7-methoxy-5-(trifluoromethyl)-1H-1,4-benzodiazepin-2-one IUPAC Name: 5-(2-cyclopropylethynyl)-7-methoxy-5-(trifluoromethyl)-1H-1,4-benzodiazepin-2-one Traditional Name: 5-(2-cyclopropylethynyl)-7-methoxy-5-(trifluoromethyl)-1H-1,4-benzodiazepin-2-one Formula: C16H13F3N2O2 MolecularWeight: 322.28183

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC(=O)C=NC2(C#CC3CC3)C(F)(F)F

Isomeric SMILES

COC1=CC2=C(C=C1)NC(=O)C=NC2(C#CC3CC3)C(F)(F)F

InChI

InChI=1S/C16H13F3N2O2/c1-23-11-4-5-13-12(8-11)15(16(17,18)19,7-6-10-2-3-10)20-9-14(22)21-13/h4-5,8-10H,2-3H2,1H3,(H,21,22)