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

Systemtic Name: ethyl 4-[2-[3-(4-ethylphenyl)-6-oxidanylidene-pyridazin-1-yl]ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[3-(4-ethylphenyl)-6-oxo-pyridazin-1-yl]acetyl]piperazine-1-carboxylate CAS Name: 4-[2-[3-(4-ethylphenyl)-6-oxo-1-pyridazinyl]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[3-(4-ethylphenyl)-6-keto-pyridazin-1-yl]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C21H26N4O4 MolecularWeight: 398.45554

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CC(=O)N3CCN(CC3)C(=O)OCC

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CC(=O)N3CCN(CC3)C(=O)OCC

InChI

InChI=1S/C21H26N4O4/c1-3-16-5-7-17(8-6-16)18-9-10-19(26)25(22-18)15-20(27)23-11-13-24(14-12-23)21(28)29-4-2/h5-10H,3-4,11-15H2,1-2H3