5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-morpholin-4-ylpyridazin-3-yl)pyrazole-3-carboxylic acid

Systemtic Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-morpholin-4-ylpyridazin-3-yl)pyrazole-3-carboxylic acid Openeye Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-morpholinopyridazin-3-yl)pyrazole-3-carboxylic acid CAS Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[6-(4-morpholinyl)-3-pyridazinyl]-3-pyrazolecarboxylic acid IUPAC Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-morpholin-4-ylpyridazin-3-yl)pyrazole-3-carboxylic acid Traditional Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-morpholinopyridazin-3-yl)pyrazole-3-carboxylic acid Formula: C20H19N5O5 MolecularWeight: 409.39536

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NN=C(C=C2)N3C(=CC(=N3)C4=CC5=C(C=C4)OCCO5)C(=O)O

Isomeric SMILES

C1COCCN1C2=NN=C(C=C2)N3C(=CC(=N3)C4=CC5=C(C=C4)OCCO5)C(=O)O

InChI

InChI=1S/C20H19N5O5/c26-20(27)15-12-14(13-1-2-16-17(11-13)30-10-9-29-16)23-25(15)19-4-3-18(21-22-19)24-5-7-28-8-6-24/h1-4,11-12H,5-10H2,(H,26,27)