(5S,7R)-3-[5-chloranyl-4-(cyclopropylamino)-6-oxidanylidene-pyridazin-1-yl]adamantane-1-carboxylate

Systemtic Name: (5S,7R)-3-[5-chloranyl-4-(cyclopropylamino)-6-oxidanylidene-pyridazin-1-yl]adamantane-1-carboxylate Openeye Name: (5S,7R)-3-[5-chloro-4-(cyclopropylamino)-6-oxo-pyridazin-1-yl]adamantane-1-carboxylate CAS Name: (5S,7R)-3-[5-chloro-4-(cyclopropylamino)-6-oxo-1-pyridazinyl]-1-adamantanecarboxylate IUPAC Name: (5S,7R)-3-[5-chloro-4-(cyclopropylamino)-6-oxopyridazin-1-yl]adamantane-1-carboxylate Traditional Name: (5S,7R)-3-[5-chloro-4-(cyclopropylamino)-6-keto-pyridazin-1-yl]adamantane-1-carboxylate Formula: C18H21ClN3O3- MolecularWeight: 362.83064

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=C(C(=O)N(N=C2)C34CC5CC(C3)CC(C5)(C4)C(=O)[O-])Cl

Isomeric SMILES

C1CC1NC2=C(C(=O)N(N=C2)C34C[C@@H]5C[C@H](C3)CC(C5)(C4)C(=O)[O-])Cl

InChI

InChI=1S/C18H22ClN3O3/c19-14-13(21-12-1-2-12)8-20-22(15(14)23)18-6-10-3-11(7-18)5-17(4-10,9-18)16(24)25/h8,10-12,21H,1-7,9H2,(H,24,25)/p-1/t10-,11+,17?,18?