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

Systemtic Name: 3-[5-chloranyl-4-[(4-methoxycarbonylphenyl)amino]-6-oxidanylidene-pyridazin-1-yl]adamantane-1-carboxylic acid Openeye Name: 3-[5-chloro-4-(4-methoxycarbonylanilino)-6-oxo-pyridazin-1-yl]adamantane-1-carboxylic acid CAS Name: 3-[5-chloro-4-(4-methoxycarbonylanilino)-6-oxo-1-pyridazinyl]-1-adamantanecarboxylic acid IUPAC Name: 3-[5-chloro-4-(4-methoxycarbonylanilino)-6-oxopyridazin-1-yl]adamantane-1-carboxylic acid Traditional Name: 3-[4-(4-carbomethoxyanilino)-5-chloro-6-keto-pyridazin-1-yl]adamantane-1-carboxylic acid Formula: C23H24ClN3O5 MolecularWeight: 457.90676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24ClN3O5/c1-32-20(29)15-2-4-16(5-3-15)26-17-11-25-27(19(28)18(17)24)23-9-13-6-14(10-23)8-22(7-13,12-23)21(30)31/h2-5,11,13-14,26H,6-10,12H2,1H3,(H,30,31)