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

Systemtic Name: (2R,5S,7R)-1-(5-chloranyl-4-morpholin-4-yl-6-oxidanylidene-pyridazin-1-yl)adamantane-2-carboxylate Openeye Name: (2R,5S,7R)-1-(5-chloro-4-morpholino-6-oxo-pyridazin-1-yl)adamantane-2-carboxylate CAS Name: (2R,5S,7R)-1-[5-chloro-4-(4-morpholinyl)-6-oxo-1-pyridazinyl]-2-adamantanecarboxylate IUPAC Name: (2R,5S,7R)-1-(5-chloro-4-morpholin-4-yl-6-oxopyridazin-1-yl)adamantane-2-carboxylate Traditional Name: (2R,5S,7R)-1-(5-chloro-6-keto-4-morpholino-pyridazin-1-yl)adamantane-2-carboxylate Formula: C19H23ClN3O4- MolecularWeight: 392.85662

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C(=O)N(N=C2)C34CC5CC(C3)CC(C5)C4C(=O)[O-])Cl

Isomeric SMILES

C1COCCN1C2=C(C(=O)N(N=C2)C34C[C@@H]5C[C@H](C3)CC(C5)[C@H]4C(=O)[O-])Cl

InChI

InChI=1S/C19H24ClN3O4/c20-16-14(22-1-3-27-4-2-22)10-21-23(17(16)24)19-8-11-5-12(9-19)7-13(6-11)15(19)18(25)26/h10-13,15H,1-9H2,(H,25,26)/p-1/t11-,12+,13?,15-,19?/m0/s1