2-[6-(diethylamino)pyridazin-3-yl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazole-3-carboxylic acid

Systemtic Name: 2-[6-(diethylamino)pyridazin-3-yl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazole-3-carboxylic acid Openeye Name: 2-[6-(diethylamino)pyridazin-3-yl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazole-3-carboxylic acid CAS Name: 2-[6-(diethylamino)-3-pyridazinyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrazolecarboxylic acid IUPAC Name: 2-[6-(diethylamino)pyridazin-3-yl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazole-3-carboxylic acid Traditional Name: 2-[6-(diethylamino)pyridazin-3-yl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazole-3-carboxylic acid Formula: C20H21N5O4 MolecularWeight: 395.41184

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=NN=C(C=C1)N2C(=CC(=N2)C3=CC4=C(C=C3)OCCO4)C(=O)O

Isomeric SMILES

CCN(CC)C1=NN=C(C=C1)N2C(=CC(=N2)C3=CC4=C(C=C3)OCCO4)C(=O)O

InChI

InChI=1S/C20H21N5O4/c1-3-24(4-2)18-7-8-19(22-21-18)25-15(20(26)27)12-14(23-25)13-5-6-16-17(11-13)29-10-9-28-16/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,26,27)