4-butyl-7-chloranyl-5-(3-methylbut-1-ynyl)-5-(trifluoromethyl)-1,3-dihydro-1,4-benzodiazepin-2-one

Systemtic Name: 4-butyl-7-chloranyl-5-(3-methylbut-1-ynyl)-5-(trifluoromethyl)-1,3-dihydro-1,4-benzodiazepin-2-one Openeye Name: 4-butyl-7-chloro-5-(3-methylbut-1-ynyl)-5-(trifluoromethyl)-1,3-dihydro-1,4-benzodiazepin-2-one CAS Name: 4-butyl-7-chloro-5-(3-methylbut-1-ynyl)-5-(trifluoromethyl)-1,3-dihydro-1,4-benzodiazepin-2-one IUPAC Name: 4-butyl-7-chloro-5-(3-methylbut-1-ynyl)-5-(trifluoromethyl)-1,3-dihydro-1,4-benzodiazepin-2-one Traditional Name: 4-butyl-7-chloro-5-(3-methylbut-1-ynyl)-5-(trifluoromethyl)-1,3-dihydro-1,4-benzodiazepin-2-one Formula: C19H22ClF3N2O MolecularWeight: 386.83899

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CC(=O)NC2=C(C1(C#CC(C)C)C(F)(F)F)C=C(C=C2)Cl

Isomeric SMILES

CCCCN1CC(=O)NC2=C(C1(C#CC(C)C)C(F)(F)F)C=C(C=C2)Cl

InChI

InChI=1S/C19H22ClF3N2O/c1-4-5-10-25-12-17(26)24-16-7-6-14(20)11-15(16)18(25,19(21,22)23)9-8-13(2)3/h6-7,11,13H,4-5,10,12H2,1-3H3,(H,24,26)