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

Systemtic Name: 2-[(5S,7R)-3-[5-chloranyl-4-(furan-2-ylmethylamino)-6-oxidanylidene-pyridazin-1-yl]-1-adamantyl]ethanoate Openeye Name: 2-[(5S,7R)-3-[5-chloro-4-(2-furylmethylamino)-6-oxo-pyridazin-1-yl]-1-adamantyl]acetate CAS Name: 2-[(5S,7R)-3-[5-chloro-4-(2-furanylmethylamino)-6-oxo-1-pyridazinyl]-1-adamantyl]acetate IUPAC Name: 2-[(5S,7R)-3-[5-chloro-4-(furan-2-ylmethylamino)-6-oxopyridazin-1-yl]-1-adamantyl]acetate Traditional Name: 2-[(5S,7R)-3-[5-chloro-4-(2-furfurylamino)-6-keto-pyridazin-1-yl]-1-adamantyl]acetate Formula: C21H23ClN3O4- MolecularWeight: 416.87802

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)N4C(=O)C(=C(C=N4)NCC5=CC=CO5)Cl)CC(=O)[O-]

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)N4C(=O)C(=C(C=N4)NCC5=CC=CO5)Cl)CC(=O)[O-]

InChI

InChI=1S/C21H24ClN3O4/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/h1-3,11,13-14,23H,4-10,12H2,(H,26,27)/p-1/t13-,14+,20?,21?