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

Systemtic Name: 2-[3-[5-chloranyl-6-oxidanylidene-4-(oxolan-2-ylmethylamino)pyridazin-1-yl]-1-adamantyl]ethanoic acid Openeye Name: 2-[3-[5-chloro-6-oxo-4-(tetrahydrofuran-2-ylmethylamino)pyridazin-1-yl]-1-adamantyl]acetic acid CAS Name: 2-[3-[5-chloro-6-oxo-4-(2-oxolanylmethylamino)-1-pyridazinyl]-1-adamantyl]acetic acid IUPAC Name: 2-[3-[5-chloro-6-oxo-4-(oxolan-2-ylmethylamino)pyridazin-1-yl]-1-adamantyl]acetic acid Traditional Name: 2-[3-[5-chloro-6-keto-4-(tetrahydrofurfurylamino)pyridazin-1-yl]-1-adamantyl]acetic acid Formula: C21H28ClN3O4 MolecularWeight: 421.91772

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC2=C(C(=O)N(N=C2)C34CC5CC(C3)CC(C5)(C4)CC(=O)O)Cl

Isomeric SMILES

C1CC(OC1)CNC2=C(C(=O)N(N=C2)C34CC5CC(C3)CC(C5)(C4)CC(=O)O)Cl

InChI

InChI=1S/C21H28ClN3O4/c22-18-16(23-10-15-2-1-3-29-15)11-24-25(19(18)28)21-7-13-4-14(8-21)6-20(5-13,12-21)9-17(26)27/h11,13-15,23H,1-10,12H2,(H,26,27)