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

Systemtic Name: 7-chloranyl-5-(2-cyclopropylethynyl)-3-ethyl-5-(trifluoromethyl)-1,4-dihydro-1,3-benzodiazepin-2-one Openeye Name: 7-chloro-5-(2-cyclopropylethynyl)-3-ethyl-5-(trifluoromethyl)-1,4-dihydro-1,3-benzodiazepin-2-one CAS Name: 7-chloro-5-(2-cyclopropylethynyl)-3-ethyl-5-(trifluoromethyl)-1,4-dihydro-1,3-benzodiazepin-2-one IUPAC Name: 7-chloro-5-(2-cyclopropylethynyl)-3-ethyl-5-(trifluoromethyl)-1,4-dihydro-1,3-benzodiazepin-2-one Traditional Name: 7-chloro-5-(2-cyclopropylethynyl)-3-ethyl-5-(trifluoromethyl)-1,4-dihydro-1,3-benzodiazepin-2-one Formula: C17H16ClF3N2O MolecularWeight: 356.76995

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC(C2=C(C=CC(=C2)Cl)NC1=O)(C#CC3CC3)C(F)(F)F

Isomeric SMILES

CCN1CC(C2=C(C=CC(=C2)Cl)NC1=O)(C#CC3CC3)C(F)(F)F

InChI

InChI=1S/C17H16ClF3N2O/c1-2-23-10-16(17(19,20)21,8-7-11-3-4-11)13-9-12(18)5-6-14(13)22-15(23)24/h5-6,9,11H,2-4,10H2,1H3,(H,22,24)