ethyl 4-(1,3-benzodioxol-5-ylmethylamino)-1-(4-fluorophenyl)-6-oxidanylidene-pyridazine-3-carboxylate

Systemtic Name: ethyl 4-(1,3-benzodioxol-5-ylmethylamino)-1-(4-fluorophenyl)-6-oxidanylidene-pyridazine-3-carboxylate Openeye Name: ethyl 4-(1,3-benzodioxol-5-ylmethylamino)-1-(4-fluorophenyl)-6-oxo-pyridazine-3-carboxylate CAS Name: 4-(1,3-benzodioxol-5-ylmethylamino)-1-(4-fluorophenyl)-6-oxo-3-pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(1,3-benzodioxol-5-ylmethylamino)-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxylate Traditional Name: 1-(4-fluorophenyl)-6-keto-4-(piperonylamino)pyridazine-3-carboxylic acid ethyl ester Formula: C21H18FN3O5 MolecularWeight: 411.383123

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C=C1NCC2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)F

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C=C1NCC2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H18FN3O5/c1-2-28-21(27)20-16(23-11-13-3-8-17-18(9-13)30-12-29-17)10-19(26)25(24-20)15-6-4-14(22)5-7-15/h3-10,23H,2,11-12H2,1H3