sodium 4-[6-oxidanylidene-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]butanoate

Systemtic Name: sodium 4-[6-oxidanylidene-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]butanoate Openeye Name: sodium 4-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]butanoate CAS Name: sodium 4-[6-oxo-3-(2-phenyl-3-pyrazolo[1,5-a]pyridinyl)-1-pyridazinyl]butanoate IUPAC Name: sodium 4-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]butanoate Traditional Name: sodium 4-[6-keto-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]butyrate Formula: C21H17N4NaO3 MolecularWeight: 396.37445

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN3C=CC=CC3=C2C4=NN(C(=O)C=C4)CCCC(=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)C2=NN3C=CC=CC3=C2C4=NN(C(=O)C=C4)CCCC(=O)[O-].[Na+]

InChI

InChI=1S/C21H18N4O3.Na/c26-18-12-11-16(22-25(18)14-6-10-19(27)28)20-17-9-4-5-13-24(17)23-21(20)15-7-2-1-3-8-15;/h1-5,7-9,11-13H,6,10,14H2,(H,27,28);/q;+1/p-1