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

Systemtic Name: (2S,5S,7R)-1-[5-chloranyl-4-(methylamino)-6-oxidanylidene-pyridazin-1-yl]adamantane-2-carboxylate Openeye Name: (2S,5S,7R)-1-[5-chloro-4-(methylamino)-6-oxo-pyridazin-1-yl]adamantane-2-carboxylate CAS Name: (2S,5S,7R)-1-[5-chloro-4-(methylamino)-6-oxo-1-pyridazinyl]-2-adamantanecarboxylate IUPAC Name: (2S,5S,7R)-1-[5-chloro-4-(methylamino)-6-oxopyridazin-1-yl]adamantane-2-carboxylate Traditional Name: (2S,5S,7R)-1-[5-chloro-6-keto-4-(methylamino)pyridazin-1-yl]adamantane-2-carboxylate Formula: C16H19ClN3O3- MolecularWeight: 336.79336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C(=O)N(N=C1)C23CC4CC(C2)CC(C4)C3C(=O)[O-])Cl

Isomeric SMILES

CNC1=C(C(=O)N(N=C1)C23C[C@@H]4C[C@H](C2)CC(C4)[C@@H]3C(=O)[O-])Cl

InChI

InChI=1S/C16H20ClN3O3/c1-18-11-7-19-20(14(21)13(11)17)16-5-8-2-9(6-16)4-10(3-8)12(16)15(22)23/h7-10,12,18H,2-6H2,1H3,(H,22,23)/p-1/t8-,9+,10?,12-,16?/m1/s1