ethyl 1-(4-fluorophenyl)-4-[(4-iodophenyl)methylamino]-6-oxidanylidene-pyridazine-3-carboxylate

Systemtic Name: ethyl 1-(4-fluorophenyl)-4-[(4-iodophenyl)methylamino]-6-oxidanylidene-pyridazine-3-carboxylate Openeye Name: ethyl 1-(4-fluorophenyl)-4-[(4-iodophenyl)methylamino]-6-oxo-pyridazine-3-carboxylate CAS Name: 1-(4-fluorophenyl)-4-[(4-iodophenyl)methylamino]-6-oxo-3-pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-fluorophenyl)-4-[(4-iodophenyl)methylamino]-6-oxopyridazine-3-carboxylate Traditional Name: 1-(4-fluorophenyl)-4-[(4-iodobenzyl)amino]-6-keto-pyridazine-3-carboxylic acid ethyl ester Formula: C20H17FIN3O3 MolecularWeight: 493.270153

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C=C1NCC2=CC=C(C=C2)I)C3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C=C1NCC2=CC=C(C=C2)I)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H17FIN3O3/c1-2-28-20(27)19-17(23-12-13-3-7-15(22)8-4-13)11-18(26)25(24-19)16-9-5-14(21)6-10-16/h3-11,23H,2,12H2,1H3