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

Systemtic Name: 3-[5-chloranyl-4-[(3,5-dimethoxyphenyl)amino]-6-oxidanylidene-pyridazin-1-yl]adamantane-1-carboxylic acid Openeye Name: 3-[5-chloro-4-(3,5-dimethoxyanilino)-6-oxo-pyridazin-1-yl]adamantane-1-carboxylic acid CAS Name: 3-[5-chloro-4-(3,5-dimethoxyanilino)-6-oxo-1-pyridazinyl]-1-adamantanecarboxylic acid IUPAC Name: 3-[5-chloro-4-(3,5-dimethoxyanilino)-6-oxopyridazin-1-yl]adamantane-1-carboxylic acid Traditional Name: 3-[5-chloro-4-(3,5-dimethoxyanilino)-6-keto-pyridazin-1-yl]adamantane-1-carboxylic acid Formula: C23H26ClN3O5 MolecularWeight: 459.92264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26ClN3O5/c1-31-16-4-15(5-17(6-16)32-2)26-18-11-25-27(20(28)19(18)24)23-9-13-3-14(10-23)8-22(7-13,12-23)21(29)30/h4-6,11,13-14,26H,3,7-10,12H2,1-2H3,(H,29,30)