3-[5-chloranyl-4-[(4-methoxyphenyl)amino]-6-oxidanylidene-pyridazin-1-yl]adamantane-1-carboxylic acid

Systemtic Name: 3-[5-chloranyl-4-[(4-methoxyphenyl)amino]-6-oxidanylidene-pyridazin-1-yl]adamantane-1-carboxylic acid Openeye Name: 3-[5-chloro-4-(4-methoxyanilino)-6-oxo-pyridazin-1-yl]adamantane-1-carboxylic acid CAS Name: 3-[5-chloro-4-(4-methoxyanilino)-6-oxo-1-pyridazinyl]-1-adamantanecarboxylic acid IUPAC Name: 3-[5-chloro-4-(4-methoxyanilino)-6-oxopyridazin-1-yl]adamantane-1-carboxylic acid Traditional Name: 3-[5-chloro-6-keto-4-(p-anisidino)pyridazin-1-yl]adamantane-1-carboxylic acid Formula: C22H24ClN3O4 MolecularWeight: 429.89666

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC2=C(C(=O)N(N=C2)C34CC5CC(C3)CC(C5)(C4)C(=O)O)Cl

Isomeric SMILES

COC1=CC=C(C=C1)NC2=C(C(=O)N(N=C2)C34CC5CC(C3)CC(C5)(C4)C(=O)O)Cl

InChI

InChI=1S/C22H24ClN3O4/c1-30-16-4-2-15(3-5-16)25-17-11-24-26(19(27)18(17)23)22-9-13-6-14(10-22)8-21(7-13,12-22)20(28)29/h2-5,11,13-14,25H,6-10,12H2,1H3,(H,28,29)