7-fluoranyl-4-(3-methylbutanoyl)-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one

Systemtic Name: 7-fluoranyl-4-(3-methylbutanoyl)-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Openeye Name: 7-fluoro-4-(3-methylbutanoyl)-5-(2-thienyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one CAS Name: 7-fluoro-4-(3-methyl-1-oxobutyl)-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one IUPAC Name: 7-fluoro-4-(3-methylbutanoyl)-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Traditional Name: 7-fluoro-4-isovaleryl-5-(2-thienyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one Formula: C18H19FN2O2S MolecularWeight: 346.419063

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CC(=O)NC2=C(C1C3=CC=CS3)C=C(C=C2)F

Isomeric SMILES

CC(C)CC(=O)N1CC(=O)NC2=C(C1C3=CC=CS3)C=C(C=C2)F

InChI

InChI=1S/C18H19FN2O2S/c1-11(2)8-17(23)21-10-16(22)20-14-6-5-12(19)9-13(14)18(21)15-4-3-7-24-15/h3-7,9,11,18H,8,10H2,1-2H3,(H,20,22)