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

Systemtic Name: 7-bromanyl-4-(2-ethylbutanoyl)-5-(4-fluorophenyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one Openeye Name: 7-bromo-4-(2-ethylbutanoyl)-5-(4-fluorophenyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one CAS Name: 7-bromo-4-(2-ethyl-1-oxobutyl)-5-(4-fluorophenyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one IUPAC Name: 7-bromo-4-(2-ethylbutanoyl)-5-(4-fluorophenyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one Traditional Name: 7-bromo-4-(2-ethylbutanoyl)-5-(4-fluorophenyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one Formula: C21H22BrFN2O2 MolecularWeight: 433.313983

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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)Br

Isomeric SMILES

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

InChI

InChI=1S/C21H22BrFN2O2/c1-3-13(4-2)21(27)25-12-19(26)24-18-10-7-15(22)11-17(18)20(25)14-5-8-16(23)9-6-14/h5-11,13,20H,3-4,12H2,1-2H3,(H,24,26)