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

Systemtic Name: (5S,7R)-3-[5-chloranyl-4-[(3-ethanoylphenyl)amino]-6-oxidanylidene-pyridazin-1-yl]adamantane-1-carboxylate Openeye Name: (5S,7R)-3-[4-(3-acetylanilino)-5-chloro-6-oxo-pyridazin-1-yl]adamantane-1-carboxylate CAS Name: (5S,7R)-3-[4-(3-acetylanilino)-5-chloro-6-oxo-1-pyridazinyl]-1-adamantanecarboxylate IUPAC Name: (5S,7R)-3-[4-(3-acetylanilino)-5-chloro-6-oxopyridazin-1-yl]adamantane-1-carboxylate Traditional Name: (5S,7R)-3-[4-(3-acetylanilino)-5-chloro-6-keto-pyridazin-1-yl]adamantane-1-carboxylate Formula: C23H23ClN3O4- MolecularWeight: 440.89942

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC2=C(C(=O)N(N=C2)C34CC5CC(C3)CC(C5)(C4)C(=O)[O-])Cl

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC2=C(C(=O)N(N=C2)C34C[C@@H]5C[C@H](C3)CC(C5)(C4)C(=O)[O-])Cl

InChI

InChI=1S/C23H24ClN3O4/c1-13(28)16-3-2-4-17(6-16)26-18-11-25-27(20(29)19(18)24)23-9-14-5-15(10-23)8-22(7-14,12-23)21(30)31/h2-4,6,11,14-15,26H,5,7-10,12H2,1H3,(H,30,31)/p-1/t14-,15+,22?,23?