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

Systemtic Name: 2-[(5S,7R)-3-[5-chloranyl-4-(naphthalen-2-ylamino)-6-oxidanylidene-pyridazin-1-yl]-1-adamantyl]ethanoate Openeye Name: 2-[(5S,7R)-3-[5-chloro-4-(2-naphthylamino)-6-oxo-pyridazin-1-yl]-1-adamantyl]acetate CAS Name: 2-[(5S,7R)-3-[5-chloro-4-(2-naphthalenylamino)-6-oxo-1-pyridazinyl]-1-adamantyl]acetate IUPAC Name: 2-[(5S,7R)-3-[5-chloro-4-(naphthalen-2-ylamino)-6-oxopyridazin-1-yl]-1-adamantyl]acetate Traditional Name: 2-[(5S,7R)-3-[5-chloro-6-keto-4-(2-naphthylamino)pyridazin-1-yl]-1-adamantyl]acetate Formula: C26H25ClN3O3- MolecularWeight: 462.948

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)N4C(=O)C(=C(C=N4)NC5=CC6=CC=CC=C6C=C5)Cl)CC(=O)[O-]

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)N4C(=O)C(=C(C=N4)NC5=CC6=CC=CC=C6C=C5)Cl)CC(=O)[O-]

InChI

InChI=1S/C26H26ClN3O3/c27-23-21(29-20-6-5-18-3-1-2-4-19(18)8-20)14-28-30(24(23)33)26-11-16-7-17(12-26)10-25(9-16,15-26)13-22(31)32/h1-6,8,14,16-17,29H,7,9-13,15H2,(H,31,32)/p-1/t16-,17+,25?,26?