2-[3-[5-chloranyl-4-(cyclohexylamino)-6-oxidanylidene-pyridazin-1-yl]-1-adamantyl]ethanoic acid

Systemtic Name: 2-[3-[5-chloranyl-4-(cyclohexylamino)-6-oxidanylidene-pyridazin-1-yl]-1-adamantyl]ethanoic acid Openeye Name: 2-[3-[5-chloro-4-(cyclohexylamino)-6-oxo-pyridazin-1-yl]-1-adamantyl]acetic acid CAS Name: 2-[3-[5-chloro-4-(cyclohexylamino)-6-oxo-1-pyridazinyl]-1-adamantyl]acetic acid IUPAC Name: 2-[3-[5-chloro-4-(cyclohexylamino)-6-oxopyridazin-1-yl]-1-adamantyl]acetic acid Traditional Name: 2-[3-[5-chloro-4-(cyclohexylamino)-6-keto-pyridazin-1-yl]-1-adamantyl]acetic acid Formula: C22H30ClN3O3 MolecularWeight: 419.9449

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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)C34CC5CC(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)