tert-butyl 4-(5-chloranyl-6-oxidanylidene-1H-pyridazin-4-yl)piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(5-chloranyl-6-oxidanylidene-1H-pyridazin-4-yl)piperazine-1-carboxylate Openeye Name: tert-butyl 4-(5-chloro-6-oxo-1H-pyridazin-4-yl)piperazine-1-carboxylate CAS Name: 4-(5-chloro-6-oxo-1H-pyridazin-4-yl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(5-chloro-6-oxo-1H-pyridazin-4-yl)piperazine-1-carboxylate Traditional Name: 4-(5-chloro-6-keto-1H-pyridazin-4-yl)piperazine-1-carboxylic acid tert-butyl ester Formula: C13H19ClN4O3 MolecularWeight: 314.76796

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C(=O)NN=C2)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C(=O)NN=C2)Cl

InChI

InChI=1S/C13H19ClN4O3/c1-13(2,3)21-12(20)18-6-4-17(5-7-18)9-8-15-16-11(19)10(9)14/h8H,4-7H2,1-3H3,(H,16,19)