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

Systemtic Name: ethyl 4-(1,3-benzodioxol-5-ylmethylamino)-1-(4-methylphenyl)-6-oxidanylidene-pyridazine-3-carboxylate Openeye Name: ethyl 4-(1,3-benzodioxol-5-ylmethylamino)-6-oxo-1-(p-tolyl)pyridazine-3-carboxylate CAS Name: 4-(1,3-benzodioxol-5-ylmethylamino)-1-(4-methylphenyl)-6-oxo-3-pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(1,3-benzodioxol-5-ylmethylamino)-1-(4-methylphenyl)-6-oxopyridazine-3-carboxylate Traditional Name: 6-keto-4-(piperonylamino)-1-(p-tolyl)pyridazine-3-carboxylic acid ethyl ester Formula: C22H21N3O5 MolecularWeight: 407.41924

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O5/c1-3-28-22(27)21-17(23-12-15-6-9-18-19(10-15)30-13-29-18)11-20(26)25(24-21)16-7-4-14(2)5-8-16/h4-11,23H,3,12-13H2,1-2H3