4-[[1-(1-adamantyl)-5-chloranyl-6-oxidanylidene-pyridazin-4-yl]amino]benzoate

Systemtic Name: 4-[[1-(1-adamantyl)-5-chloranyl-6-oxidanylidene-pyridazin-4-yl]amino]benzoate Openeye Name: 4-[[1-(1-adamantyl)-5-chloro-6-oxo-pyridazin-4-yl]amino]benzoate CAS Name: 4-[[1-(1-adamantyl)-5-chloro-6-oxo-4-pyridazinyl]amino]benzoate IUPAC Name: 4-[[1-(1-adamantyl)-5-chloro-6-oxopyridazin-4-yl]amino]benzoate Traditional Name: 4-[[1-(1-adamantyl)-5-chloro-6-keto-pyridazin-4-yl]amino]benzoate Formula: C21H21ClN3O3- MolecularWeight: 398.86274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN3O3/c22-18-17(24-16-3-1-15(2-4-16)20(27)28)11-23-25(19(18)26)21-8-12-5-13(9-21)7-14(6-12)10-21/h1-4,11-14,24H,5-10H2,(H,27,28)/p-1