(2S,5S,7R)-1-[5-chloranyl-4-(2-methoxyethylamino)-6-oxidanylidene-pyridazin-1-yl]adamantane-2-carboxylate

Systemtic Name: (2S,5S,7R)-1-[5-chloranyl-4-(2-methoxyethylamino)-6-oxidanylidene-pyridazin-1-yl]adamantane-2-carboxylate Openeye Name: (2S,5S,7R)-1-[5-chloro-4-(2-methoxyethylamino)-6-oxo-pyridazin-1-yl]adamantane-2-carboxylate CAS Name: (2S,5S,7R)-1-[5-chloro-4-(2-methoxyethylamino)-6-oxo-1-pyridazinyl]-2-adamantanecarboxylate IUPAC Name: (2S,5S,7R)-1-[5-chloro-4-(2-methoxyethylamino)-6-oxopyridazin-1-yl]adamantane-2-carboxylate Traditional Name: (2S,5S,7R)-1-[5-chloro-6-keto-4-(2-methoxyethylamino)pyridazin-1-yl]adamantane-2-carboxylate Formula: C18H23ClN3O4- MolecularWeight: 380.84592

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=C(C(=O)N(N=C1)C23CC4CC(C2)CC(C4)C3C(=O)[O-])Cl

Isomeric SMILES

COCCNC1=C(C(=O)N(N=C1)C23C[C@@H]4C[C@H](C2)CC(C4)[C@@H]3C(=O)[O-])Cl

InChI

InChI=1S/C18H24ClN3O4/c1-26-3-2-20-13-9-21-22(16(23)15(13)19)18-7-10-4-11(8-18)6-12(5-10)14(18)17(24)25/h9-12,14,20H,2-8H2,1H3,(H,24,25)/p-1/t10-,11+,12?,14-,18?/m1/s1