tert-butyl 4-[5-chloranyl-1-(2-methoxycarbonylphenyl)-6-oxidanylidene-pyridazin-4-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[5-chloranyl-1-(2-methoxycarbonylphenyl)-6-oxidanylidene-pyridazin-4-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[5-chloro-1-(2-methoxycarbonylphenyl)-6-oxo-pyridazin-4-yl]piperazine-1-carboxylate CAS Name: 4-[5-chloro-1-(2-methoxycarbonylphenyl)-6-oxo-4-pyridazinyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[5-chloro-1-(2-methoxycarbonylphenyl)-6-oxopyridazin-4-yl]piperazine-1-carboxylate Traditional Name: 4-[1-(2-carbomethoxyphenyl)-5-chloro-6-keto-pyridazin-4-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C21H25ClN4O5 MolecularWeight: 448.9

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C(=O)N(N=C2)C3=CC=CC=C3C(=O)OC)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C(=O)N(N=C2)C3=CC=CC=C3C(=O)OC)Cl

InChI

InChI=1S/C21H25ClN4O5/c1-21(2,3)31-20(29)25-11-9-24(10-12-25)16-13-23-26(18(27)17(16)22)15-8-6-5-7-14(15)19(28)30-4/h5-8,13H,9-12H2,1-4H3