dimethyl 5-[[1-(1-adamantyl)-5-chloranyl-6-oxidanylidene-pyridazin-4-yl]amino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[[1-(1-adamantyl)-5-chloranyl-6-oxidanylidene-pyridazin-4-yl]amino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[1-(1-adamantyl)-5-chloro-6-oxo-pyridazin-4-yl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[1-(1-adamantyl)-5-chloro-6-oxo-4-pyridazinyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[1-(1-adamantyl)-5-chloro-6-oxopyridazin-4-yl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[1-(1-adamantyl)-5-chloro-6-keto-pyridazin-4-yl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C24H26ClN3O5 MolecularWeight: 471.93334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC2=C(C(=O)N(N=C2)C34CC5CC(C3)CC(C5)C4)Cl)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC2=C(C(=O)N(N=C2)C34CC5CC(C3)CC(C5)C4)Cl)C(=O)OC

InChI

InChI=1S/C24H26ClN3O5/c1-32-22(30)16-6-17(23(31)33-2)8-18(7-16)27-19-12-26-28(21(29)20(19)25)24-9-13-3-14(10-24)5-15(4-13)11-24/h6-8,12-15,27H,3-5,9-11H2,1-2H3