3-[5-chloranyl-4-[(2,4-dimethoxyphenyl)amino]-6-oxidanylidene-pyridazin-1-yl]adamantane-1-carboxylic acid

Systemtic Name: 3-[5-chloranyl-4-[(2,4-dimethoxyphenyl)amino]-6-oxidanylidene-pyridazin-1-yl]adamantane-1-carboxylic acid Openeye Name: 3-[5-chloro-4-(2,4-dimethoxyanilino)-6-oxo-pyridazin-1-yl]adamantane-1-carboxylic acid CAS Name: 3-[5-chloro-4-(2,4-dimethoxyanilino)-6-oxo-1-pyridazinyl]-1-adamantanecarboxylic acid IUPAC Name: 3-[5-chloro-4-(2,4-dimethoxyanilino)-6-oxopyridazin-1-yl]adamantane-1-carboxylic acid Traditional Name: 3-[5-chloro-4-(2,4-dimethoxyanilino)-6-keto-pyridazin-1-yl]adamantane-1-carboxylic acid Formula: C23H26ClN3O5 MolecularWeight: 459.92264

Click to see the large picture

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)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H26ClN3O5/c1-31-15-3-4-16(18(6-15)32-2)26-17-11-25-27(20(28)19(17)24)23-9-13-5-14(10-23)8-22(7-13,12-23)21(29)30/h3-4,6,11,13-14,26H,5,7-10,12H2,1-2H3,(H,29,30)