ethyl 4-[2-(4-bromophenyl)ethanoylamino]-1-(4-fluorophenyl)-6-oxidanylidene-pyridazine-3-carboxylate

Systemtic Name: ethyl 4-[2-(4-bromophenyl)ethanoylamino]-1-(4-fluorophenyl)-6-oxidanylidene-pyridazine-3-carboxylate Openeye Name: ethyl 4-[[2-(4-bromophenyl)acetyl]amino]-1-(4-fluorophenyl)-6-oxo-pyridazine-3-carboxylate CAS Name: 4-[[2-(4-bromophenyl)-1-oxoethyl]amino]-1-(4-fluorophenyl)-6-oxo-3-pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-(4-bromophenyl)acetyl]amino]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxylate Traditional Name: 4-[[2-(4-bromophenyl)acetyl]amino]-1-(4-fluorophenyl)-6-keto-pyridazine-3-carboxylic acid ethyl ester Formula: C21H17BrFN3O4 MolecularWeight: 474.279783

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C=C1NC(=O)CC2=CC=C(C=C2)Br)C3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C=C1NC(=O)CC2=CC=C(C=C2)Br)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H17BrFN3O4/c1-2-30-21(29)20-17(24-18(27)11-13-3-5-14(22)6-4-13)12-19(28)26(25-20)16-9-7-15(23)8-10-16/h3-10,12H,2,11H2,1H3,(H,24,27)