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

Systemtic Name: (5S,7R)-3-[5-chloranyl-4-[(4-ethoxycarbonylphenyl)amino]-6-oxidanylidene-pyridazin-1-yl]adamantane-1-carboxylate Openeye Name: (5S,7R)-3-[5-chloro-4-(4-ethoxycarbonylanilino)-6-oxo-pyridazin-1-yl]adamantane-1-carboxylate CAS Name: (5S,7R)-3-[5-chloro-4-(4-ethoxycarbonylanilino)-6-oxo-1-pyridazinyl]-1-adamantanecarboxylate IUPAC Name: (5S,7R)-3-[5-chloro-4-(4-ethoxycarbonylanilino)-6-oxopyridazin-1-yl]adamantane-1-carboxylate Traditional Name: (5S,7R)-3-[4-(4-carbethoxyanilino)-5-chloro-6-keto-pyridazin-1-yl]adamantane-1-carboxylate Formula: C24H25ClN3O5- MolecularWeight: 470.9254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)C1=CC=C(C=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/C24H26ClN3O5/c1-2-33-21(30)16-3-5-17(6-4-16)27-18-12-26-28(20(29)19(18)25)24-10-14-7-15(11-24)9-23(8-14,13-24)22(31)32/h3-6,12,14-15,27H,2,7-11,13H2,1H3,(H,31,32)/p-1/t14-,15+,23?,24?