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

Systemtic Name: 2-[(5S,7R)-3-[5-chloranyl-4-(cyclohexylamino)-6-oxidanylidene-pyridazin-1-yl]-1-adamantyl]ethanoate Openeye Name: 2-[(5S,7R)-3-[5-chloro-4-(cyclohexylamino)-6-oxo-pyridazin-1-yl]-1-adamantyl]acetate CAS Name: 2-[(5S,7R)-3-[5-chloro-4-(cyclohexylamino)-6-oxo-1-pyridazinyl]-1-adamantyl]acetate IUPAC Name: 2-[(5S,7R)-3-[5-chloro-4-(cyclohexylamino)-6-oxopyridazin-1-yl]-1-adamantyl]acetate Traditional Name: 2-[(5S,7R)-3-[5-chloro-4-(cyclohexylamino)-6-keto-pyridazin-1-yl]-1-adamantyl]acetate Formula: C22H29ClN3O3- MolecularWeight: 418.93696

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC2=C(C(=O)N(N=C2)C34CC5CC(C3)CC(C5)(C4)CC(=O)[O-])Cl

Isomeric SMILES

C1CCC(CC1)NC2=C(C(=O)N(N=C2)C34C[C@@H]5C[C@H](C3)CC(C5)(C4)CC(=O)[O-])Cl

InChI

InChI=1S/C22H30ClN3O3/c23-19-17(25-16-4-2-1-3-5-16)12-24-26(20(19)29)22-9-14-6-15(10-22)8-21(7-14,13-22)11-18(27)28/h12,14-16,25H,1-11,13H2,(H,27,28)/p-1/t14-,15+,21?,22?