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

Systemtic Name: ethyl 4-[2-[3-(3,4-dimethylphenyl)-6-oxidanylidene-pyridazin-1-yl]ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[3-(3,4-dimethylphenyl)-6-oxo-pyridazin-1-yl]acetyl]piperazine-1-carboxylate CAS Name: 4-[2-[3-(3,4-dimethylphenyl)-6-oxo-1-pyridazinyl]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[3-(3,4-dimethylphenyl)-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:

CCOC(=O)N1CCN(CC1)C(=O)CN2C(=O)C=CC(=N2)C3=CC(=C(C=C3)C)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CN2C(=O)C=CC(=N2)C3=CC(=C(C=C3)C)C

InChI

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