2-[[1-(1-adamantyl)-5-chloranyl-6-oxidanylidene-pyridazin-4-yl]amino]-4,5-dimethoxy-benzoate

Systemtic Name: 2-[[1-(1-adamantyl)-5-chloranyl-6-oxidanylidene-pyridazin-4-yl]amino]-4,5-dimethoxy-benzoate Openeye Name: 2-[[1-(1-adamantyl)-5-chloro-6-oxo-pyridazin-4-yl]amino]-4,5-dimethoxy-benzoate CAS Name: 2-[[1-(1-adamantyl)-5-chloro-6-oxo-4-pyridazinyl]amino]-4,5-dimethoxybenzoate IUPAC Name: 2-[[1-(1-adamantyl)-5-chloro-6-oxopyridazin-4-yl]amino]-4,5-dimethoxybenzoate Traditional Name: 2-[[1-(1-adamantyl)-5-chloro-6-keto-pyridazin-4-yl]amino]-4,5-dimethoxy-benzoate Formula: C23H25ClN3O5- MolecularWeight: 458.9147

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)[O-])NC2=C(C(=O)N(N=C2)C34CC5CC(C3)CC(C5)C4)Cl)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)[O-])NC2=C(C(=O)N(N=C2)C34CC5CC(C3)CC(C5)C4)Cl)OC

InChI

InChI=1S/C23H26ClN3O5/c1-31-18-6-15(22(29)30)16(7-19(18)32-2)26-17-11-25-27(21(28)20(17)24)23-8-12-3-13(9-23)5-14(4-12)10-23/h6-7,11-14,26H,3-5,8-10H2,1-2H3,(H,29,30)/p-1