ethyl 4-[2-(3,4-dimethoxyphenyl)ethylamino]-1-(4-fluorophenyl)-6-oxidanylidene-pyridazine-3-carboxylate

Systemtic Name: ethyl 4-[2-(3,4-dimethoxyphenyl)ethylamino]-1-(4-fluorophenyl)-6-oxidanylidene-pyridazine-3-carboxylate Openeye Name: ethyl 4-[2-(3,4-dimethoxyphenyl)ethylamino]-1-(4-fluorophenyl)-6-oxo-pyridazine-3-carboxylate CAS Name: 4-[2-(3,4-dimethoxyphenyl)ethylamino]-1-(4-fluorophenyl)-6-oxo-3-pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(3,4-dimethoxyphenyl)ethylamino]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxylate Traditional Name: 1-(4-fluorophenyl)-4-(homoveratrylamino)-6-keto-pyridazine-3-carboxylic acid ethyl ester Formula: C23H24FN3O5 MolecularWeight: 441.452163

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C=C1NCCC2=CC(=C(C=C2)OC)OC)C3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C=C1NCCC2=CC(=C(C=C2)OC)OC)C3=CC=C(C=C3)F

InChI

InChI=1S/C23H24FN3O5/c1-4-32-23(29)22-18(14-21(28)27(26-22)17-8-6-16(24)7-9-17)25-12-11-15-5-10-19(30-2)20(13-15)31-3/h5-10,13-14,25H,4,11-12H2,1-3H3