3-[5-chloranyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-6-oxidanylidene-pyridazin-1-yl]adamantane-1-carboxylic acid

Systemtic Name: 3-[5-chloranyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-6-oxidanylidene-pyridazin-1-yl]adamantane-1-carboxylic acid Openeye Name: 3-[5-chloro-4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-6-oxo-pyridazin-1-yl]adamantane-1-carboxylic acid CAS Name: 3-[5-chloro-4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-6-oxo-1-pyridazinyl]-1-adamantanecarboxylic acid IUPAC Name: 3-[5-chloro-4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-6-oxopyridazin-1-yl]adamantane-1-carboxylic acid Traditional Name: 3-[5-chloro-4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-6-keto-pyridazin-1-yl]adamantane-1-carboxylic acid Formula: C23H24ClN3O5 MolecularWeight: 457.90676

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)NC3=C(C(=O)N(N=C3)C45CC6CC(C4)CC(C6)(C5)C(=O)O)Cl

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)NC3=C(C(=O)N(N=C3)C45CC6CC(C4)CC(C6)(C5)C(=O)O)Cl

InChI

InChI=1S/C23H24ClN3O5/c24-19-16(26-15-1-2-17-18(6-15)32-4-3-31-17)11-25-27(20(19)28)23-9-13-5-14(10-23)8-22(7-13,12-23)21(29)30/h1-2,6,11,13-14,26H,3-5,7-10,12H2,(H,29,30)