(5S,7R)-3-[5-chloranyl-4-[(2-methoxyphenyl)amino]-6-oxidanylidene-pyridazin-1-yl]adamantane-1-carboxylate

Systemtic Name: (5S,7R)-3-[5-chloranyl-4-[(2-methoxyphenyl)amino]-6-oxidanylidene-pyridazin-1-yl]adamantane-1-carboxylate Openeye Name: (5S,7R)-3-[5-chloro-4-(2-methoxyanilino)-6-oxo-pyridazin-1-yl]adamantane-1-carboxylate CAS Name: (5S,7R)-3-[5-chloro-4-(2-methoxyanilino)-6-oxo-1-pyridazinyl]-1-adamantanecarboxylate IUPAC Name: (5S,7R)-3-[5-chloro-4-(2-methoxyanilino)-6-oxopyridazin-1-yl]adamantane-1-carboxylate Traditional Name: (5S,7R)-3-[5-chloro-6-keto-4-(o-anisidino)pyridazin-1-yl]adamantane-1-carboxylate Formula: C22H23ClN3O4- MolecularWeight: 428.88872

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC2=C(C(=O)N(N=C2)C34CC5CC(C3)CC(C5)(C4)C(=O)[O-])Cl

Isomeric SMILES

COC1=CC=CC=C1NC2=C(C(=O)N(N=C2)C34C[C@@H]5C[C@H](C3)CC(C5)(C4)C(=O)[O-])Cl

InChI

InChI=1S/C22H24ClN3O4/c1-30-17-5-3-2-4-15(17)25-16-11-24-26(19(27)18(16)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)/p-1/t13-,14+,21?,22?