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

Systemtic Name: 2-[(5S,7R)-3-[5-chloranyl-4-(methylamino)-6-oxidanylidene-pyridazin-1-yl]-1-adamantyl]ethanoate Openeye Name: 2-[(5S,7R)-3-[5-chloro-4-(methylamino)-6-oxo-pyridazin-1-yl]-1-adamantyl]acetate CAS Name: 2-[(5S,7R)-3-[5-chloro-4-(methylamino)-6-oxo-1-pyridazinyl]-1-adamantyl]acetate IUPAC Name: 2-[(5S,7R)-3-[5-chloro-4-(methylamino)-6-oxopyridazin-1-yl]-1-adamantyl]acetate Traditional Name: 2-[(5S,7R)-3-[5-chloro-6-keto-4-(methylamino)pyridazin-1-yl]-1-adamantyl]acetate Formula: C17H21ClN3O3- MolecularWeight: 350.81994

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C(=O)N(N=C1)C23CC4CC(C2)CC(C4)(C3)CC(=O)[O-])Cl

Isomeric SMILES

CNC1=C(C(=O)N(N=C1)C23C[C@@H]4C[C@H](C2)CC(C4)(C3)CC(=O)[O-])Cl

InChI

InChI=1S/C17H22ClN3O3/c1-19-12-8-20-21(15(24)14(12)18)17-5-10-2-11(6-17)4-16(3-10,9-17)7-13(22)23/h8,10-11,19H,2-7,9H2,1H3,(H,22,23)/p-1/t10-,11+,16?,17?