tert-butyl 4-[[1-(2,5-dimethylphenyl)-6-oxidanylidene-4,5-dihydropyridazin-3-yl]carbonyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[[1-(2,5-dimethylphenyl)-6-oxidanylidene-4,5-dihydropyridazin-3-yl]carbonyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazin-3-yl]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[1-(2,5-dimethylphenyl)-6-keto-4,5-dihydropyridazine-3-carbonyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C22H30N4O4 MolecularWeight: 414.498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C(=O)CCC(=N2)C(=O)N3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C(=O)CCC(=N2)C(=O)N3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C22H30N4O4/c1-15-6-7-16(2)18(14-15)26-19(27)9-8-17(23-26)20(28)24-10-12-25(13-11-24)21(29)30-22(3,4)5/h6-7,14H,8-13H2,1-5H3