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

Systemtic Name: 7-chloranyl-5-(2-cyclopropylethynyl)-5-(trifluoromethyl)-3,4-dihydro-1H-1,3-benzodiazepin-2-one Openeye Name: 7-chloro-5-(2-cyclopropylethynyl)-5-(trifluoromethyl)-3,4-dihydro-1H-1,3-benzodiazepin-2-one CAS Name: 7-chloro-5-(2-cyclopropylethynyl)-5-(trifluoromethyl)-3,4-dihydro-1H-1,3-benzodiazepin-2-one IUPAC Name: 7-chloro-5-(2-cyclopropylethynyl)-5-(trifluoromethyl)-3,4-dihydro-1H-1,3-benzodiazepin-2-one Traditional Name: 7-chloro-5-(2-cyclopropylethynyl)-5-(trifluoromethyl)-3,4-dihydro-1H-1,3-benzodiazepin-2-one Formula: C15H12ClF3N2O MolecularWeight: 328.71679

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C#CC2(CNC(=O)NC3=C2C=C(C=C3)Cl)C(F)(F)F

Isomeric SMILES

C1CC1C#CC2(CNC(=O)NC3=C2C=C(C=C3)Cl)C(F)(F)F

InChI

InChI=1S/C15H12ClF3N2O/c16-10-3-4-12-11(7-10)14(15(17,18)19,6-5-9-1-2-9)8-20-13(22)21-12/h3-4,7,9H,1-2,8H2,(H2,20,21,22)