ethyl 4-(4-ethoxycarbonylpiperazin-1-yl)-1-(2-methylphenyl)-6-oxidanylidene-pyridazine-3-carboxylate

Systemtic Name: ethyl 4-(4-ethoxycarbonylpiperazin-1-yl)-1-(2-methylphenyl)-6-oxidanylidene-pyridazine-3-carboxylate Openeye Name: ethyl 4-(4-ethoxycarbonylpiperazin-1-yl)-1-(o-tolyl)-6-oxo-pyridazine-3-carboxylate CAS Name: 4-(4-ethoxycarbonyl-1-piperazinyl)-1-(2-methylphenyl)-6-oxo-3-pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-ethoxycarbonylpiperazin-1-yl)-1-(2-methylphenyl)-6-oxopyridazine-3-carboxylate Traditional Name: 4-(4-carbethoxypiperazino)-6-keto-1-(o-tolyl)pyridazine-3-carboxylic acid ethyl ester Formula: C21H26N4O5 MolecularWeight: 414.45494

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C=C1N2CCN(CC2)C(=O)OCC)C3=CC=CC=C3C

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C=C1N2CCN(CC2)C(=O)OCC)C3=CC=CC=C3C

InChI

InChI=1S/C21H26N4O5/c1-4-29-20(27)19-17(23-10-12-24(13-11-23)21(28)30-5-2)14-18(26)25(22-19)16-9-7-6-8-15(16)3/h6-9,14H,4-5,10-13H2,1-3H3