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

Systemtic Name: ethyl 1-(4-fluorophenyl)-4-[(4-methylphenyl)methylamino]-6-oxidanylidene-pyridazine-3-carboxylate Openeye Name: ethyl 1-(4-fluorophenyl)-6-oxo-4-(p-tolylmethylamino)pyridazine-3-carboxylate CAS Name: 1-(4-fluorophenyl)-4-[(4-methylphenyl)methylamino]-6-oxo-3-pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-fluorophenyl)-4-[(4-methylphenyl)methylamino]-6-oxopyridazine-3-carboxylate Traditional Name: 1-(4-fluorophenyl)-6-keto-4-[(4-methylbenzyl)amino]pyridazine-3-carboxylic acid ethyl ester Formula: C21H20FN3O3 MolecularWeight: 381.400203

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20FN3O3/c1-3-28-21(27)20-18(23-13-15-6-4-14(2)5-7-15)12-19(26)25(24-20)17-10-8-16(22)9-11-17/h4-12,23H,3,13H2,1-2H3