2-[(5S,7R)-3-[5-chloranyl-4-(cyclooctylamino)-6-oxidanylidene-pyridazin-1-yl]-1-adamantyl]ethanoate

Systemtic Name: 2-[(5S,7R)-3-[5-chloranyl-4-(cyclooctylamino)-6-oxidanylidene-pyridazin-1-yl]-1-adamantyl]ethanoate Openeye Name: 2-[(5S,7R)-3-[5-chloro-4-(cyclooctylamino)-6-oxo-pyridazin-1-yl]-1-adamantyl]acetate CAS Name: 2-[(5S,7R)-3-[5-chloro-4-(cyclooctylamino)-6-oxo-1-pyridazinyl]-1-adamantyl]acetate IUPAC Name: 2-[(5S,7R)-3-[5-chloro-4-(cyclooctylamino)-6-oxopyridazin-1-yl]-1-adamantyl]acetate Traditional Name: 2-[(5S,7R)-3-[5-chloro-4-(cyclooctylamino)-6-keto-pyridazin-1-yl]-1-adamantyl]acetate Formula: C24H33ClN3O3- MolecularWeight: 446.99012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H34ClN3O3/c25-21-19(27-18-6-4-2-1-3-5-7-18)14-26-28(22(21)31)24-11-16-8-17(12-24)10-23(9-16,15-24)13-20(29)30/h14,16-18,27H,1-13,15H2,(H,29,30)/p-1/t16-,17+,23?,24?