3-cyano-4-[[4-(4-fluoranylphenoxy)phenyl]amino]-5-methyl-pyrrolo[1,2-b]pyridazine-6-carboxylic acid

Systemtic Name: 3-cyano-4-[[4-(4-fluoranylphenoxy)phenyl]amino]-5-methyl-pyrrolo[1,2-b]pyridazine-6-carboxylic acid Openeye Name: 3-cyano-4-[4-(4-fluorophenoxy)anilino]-5-methyl-pyrrolo[1,2-b]pyridazine-6-carboxylic acid CAS Name: 3-cyano-4-[4-(4-fluorophenoxy)anilino]-5-methyl-6-pyrrolo[1,2-b]pyridazinecarboxylic acid IUPAC Name: 3-cyano-4-[4-(4-fluorophenoxy)anilino]-5-methylpyrrolo[1,2-b]pyridazine-6-carboxylic acid Traditional Name: 3-cyano-4-[4-(4-fluorophenoxy)anilino]-5-methyl-pyrrolo[1,2-b]pyridazine-6-carboxylic acid Formula: C22H15FN4O3 MolecularWeight: 402.377903

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=NN2C=C1C(=O)O)C#N)NC3=CC=C(C=C3)OC4=CC=C(C=C4)F

Isomeric SMILES

CC1=C2C(=C(C=NN2C=C1C(=O)O)C#N)NC3=CC=C(C=C3)OC4=CC=C(C=C4)F

InChI

InChI=1S/C22H15FN4O3/c1-13-19(22(28)29)12-27-21(13)20(14(10-24)11-25-27)26-16-4-8-18(9-5-16)30-17-6-2-15(23)3-7-17/h2-9,11-12,26H,1H3,(H,28,29)