4-(2-ethylbutanoyl)-7-fluoranyl-5-(4-fluorophenyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one

Systemtic Name: 4-(2-ethylbutanoyl)-7-fluoranyl-5-(4-fluorophenyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one Openeye Name: 4-(2-ethylbutanoyl)-7-fluoro-5-(4-fluorophenyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one CAS Name: 4-(2-ethyl-1-oxobutyl)-7-fluoro-5-(4-fluorophenyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one IUPAC Name: 4-(2-ethylbutanoyl)-7-fluoro-5-(4-fluorophenyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one Traditional Name: 4-(2-ethylbutanoyl)-7-fluoro-5-(4-fluorophenyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one Formula: C21H22F2N2O2 MolecularWeight: 372.408386

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)N1CC(=O)NC2=C(C1C3=CC=C(C=C3)F)C=C(C=C2)F

Isomeric SMILES

CCC(CC)C(=O)N1CC(=O)NC2=C(C1C3=CC=C(C=C3)F)C=C(C=C2)F

InChI

InChI=1S/C21H22F2N2O2/c1-3-13(4-2)21(27)25-12-19(26)24-18-10-9-16(23)11-17(18)20(25)14-5-7-15(22)8-6-14/h5-11,13,20H,3-4,12H2,1-2H3,(H,24,26)