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

Systemtic Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-piperidin-1-ylpyridazin-3-yl)pyrazole-3-carboxylic acid Openeye Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[6-(1-piperidyl)pyridazin-3-yl]pyrazole-3-carboxylic acid CAS Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[6-(1-piperidinyl)-3-pyridazinyl]-3-pyrazolecarboxylic acid IUPAC Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-piperidin-1-ylpyridazin-3-yl)pyrazole-3-carboxylic acid Traditional Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-piperidinopyridazin-3-yl)pyrazole-3-carboxylic acid Formula: C21H21N5O4 MolecularWeight: 407.42254

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NN=C(C=C2)N3C(=CC(=N3)C4=CC5=C(C=C4)OCCO5)C(=O)O

Isomeric SMILES

C1CCN(CC1)C2=NN=C(C=C2)N3C(=CC(=N3)C4=CC5=C(C=C4)OCCO5)C(=O)O

InChI

InChI=1S/C21H21N5O4/c27-21(28)16-13-15(14-4-5-17-18(12-14)30-11-10-29-17)24-26(16)20-7-6-19(22-23-20)25-8-2-1-3-9-25/h4-7,12-13H,1-3,8-11H2,(H,27,28)