3-[[1-(1-adamantyl)-5-chloranyl-6-oxidanylidene-pyridazin-4-yl]amino]-4-methoxy-benzoic acid

Systemtic Name: 3-[[1-(1-adamantyl)-5-chloranyl-6-oxidanylidene-pyridazin-4-yl]amino]-4-methoxy-benzoic acid Openeye Name: 3-[[1-(1-adamantyl)-5-chloro-6-oxo-pyridazin-4-yl]amino]-4-methoxy-benzoic acid CAS Name: 3-[[1-(1-adamantyl)-5-chloro-6-oxo-4-pyridazinyl]amino]-4-methoxybenzoic acid IUPAC Name: 3-[[1-(1-adamantyl)-5-chloro-6-oxopyridazin-4-yl]amino]-4-methoxybenzoic acid Traditional Name: 3-[[1-(1-adamantyl)-5-chloro-6-keto-pyridazin-4-yl]amino]-4-methoxy-benzoic acid Formula: C22H24ClN3O4 MolecularWeight: 429.89666

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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

Isomeric SMILES

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

InChI

InChI=1S/C22H24ClN3O4/c1-30-18-3-2-15(21(28)29)7-16(18)25-17-11-24-26(20(27)19(17)23)22-8-12-4-13(9-22)6-14(5-12)10-22/h2-3,7,11-14,25H,4-6,8-10H2,1H3,(H,28,29)