ethyl 4-[2-[3-(4-ethoxyphenyl)-6-oxidanylidene-pyridazin-1-yl]ethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[3-(4-ethoxyphenyl)-6-oxidanylidene-pyridazin-1-yl]ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[3-(4-ethoxyphenyl)-6-oxo-pyridazin-1-yl]acetyl]piperazine-1-carboxylate CAS Name: 4-[2-[3-(4-ethoxyphenyl)-6-oxo-1-pyridazinyl]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-(6-keto-3-p-phenetyl-pyridazin-1-yl)acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C21H26N4O5 MolecularWeight: 414.45494

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CC(=O)N3CCN(CC3)C(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CC(=O)N3CCN(CC3)C(=O)OCC

InChI

InChI=1S/C21H26N4O5/c1-3-29-17-7-5-16(6-8-17)18-9-10-19(26)25(22-18)15-20(27)23-11-13-24(14-12-23)21(28)30-4-2/h5-10H,3-4,11-15H2,1-2H3