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

Systemtic Name: (5S,7R)-3-[5-chloranyl-4-(cyclooctylamino)-6-oxidanylidene-pyridazin-1-yl]adamantane-1-carboxylate Openeye Name: (5S,7R)-3-[5-chloro-4-(cyclooctylamino)-6-oxo-pyridazin-1-yl]adamantane-1-carboxylate CAS Name: (5S,7R)-3-[5-chloro-4-(cyclooctylamino)-6-oxo-1-pyridazinyl]-1-adamantanecarboxylate IUPAC Name: (5S,7R)-3-[5-chloro-4-(cyclooctylamino)-6-oxopyridazin-1-yl]adamantane-1-carboxylate Traditional Name: (5S,7R)-3-[5-chloro-4-(cyclooctylamino)-6-keto-pyridazin-1-yl]adamantane-1-carboxylate Formula: C23H31ClN3O3- MolecularWeight: 432.96354

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)NC2=C(C(=O)N(N=C2)C34CC5CC(C3)CC(C5)(C4)C(=O)[O-])Cl

Isomeric SMILES

C1CCCC(CCC1)NC2=C(C(=O)N(N=C2)C34C[C@@H]5C[C@H](C3)CC(C5)(C4)C(=O)[O-])Cl

InChI

InChI=1S/C23H32ClN3O3/c24-19-18(26-17-6-4-2-1-3-5-7-17)13-25-27(20(19)28)23-11-15-8-16(12-23)10-22(9-15,14-23)21(29)30/h13,15-17,26H,1-12,14H2,(H,29,30)/p-1/t15-,16+,22?,23?