tert-butyl 2-[4-(5-chloranyl-6-oxidanylidene-1-phenyl-pyridazin-4-yl)piperazin-1-yl]ethanoate

Systemtic Name: tert-butyl 2-[4-(5-chloranyl-6-oxidanylidene-1-phenyl-pyridazin-4-yl)piperazin-1-yl]ethanoate Openeye Name: tert-butyl 2-[4-(5-chloro-6-oxo-1-phenyl-pyridazin-4-yl)piperazin-1-yl]acetate CAS Name: 2-[4-(5-chloro-6-oxo-1-phenyl-4-pyridazinyl)-1-piperazinyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperazin-1-yl]acetate Traditional Name: 2-[4-(5-chloro-6-keto-1-phenyl-pyridazin-4-yl)piperazino]acetic acid tert-butyl ester Formula: C20H25ClN4O3 MolecularWeight: 404.8905

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1CCN(CC1)C2=C(C(=O)N(N=C2)C3=CC=CC=C3)Cl

Isomeric SMILES

CC(C)(C)OC(=O)CN1CCN(CC1)C2=C(C(=O)N(N=C2)C3=CC=CC=C3)Cl

InChI

InChI=1S/C20H25ClN4O3/c1-20(2,3)28-17(26)14-23-9-11-24(12-10-23)16-13-22-25(19(27)18(16)21)15-7-5-4-6-8-15/h4-8,13H,9-12,14H2,1-3H3