2-[4-[[1-(1-adamantyl)-5-chloranyl-6-oxidanylidene-pyridazin-4-yl]amino]phenyl]ethanoate

Systemtic Name: 2-[4-[[1-(1-adamantyl)-5-chloranyl-6-oxidanylidene-pyridazin-4-yl]amino]phenyl]ethanoate Openeye Name: 2-[4-[[1-(1-adamantyl)-5-chloro-6-oxo-pyridazin-4-yl]amino]phenyl]acetate CAS Name: 2-[4-[[1-(1-adamantyl)-5-chloro-6-oxo-4-pyridazinyl]amino]phenyl]acetate IUPAC Name: 2-[4-[[1-(1-adamantyl)-5-chloro-6-oxopyridazin-4-yl]amino]phenyl]acetate Traditional Name: 2-[4-[[1-(1-adamantyl)-5-chloro-6-keto-pyridazin-4-yl]amino]phenyl]acetate Formula: C22H23ClN3O3- MolecularWeight: 412.88932

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)N4C(=O)C(=C(C=N4)NC5=CC=C(C=C5)CC(=O)[O-])Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)N4C(=O)C(=C(C=N4)NC5=CC=C(C=C5)CC(=O)[O-])Cl

InChI

InChI=1S/C22H24ClN3O3/c23-20-18(25-17-3-1-13(2-4-17)8-19(27)28)12-24-26(21(20)29)22-9-14-5-15(10-22)7-16(6-14)11-22/h1-4,12,14-16,25H,5-11H2,(H,27,28)/p-1