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

Systemtic Name: 3-cyano-4-[(2-fluoranyl-4-phenoxy-phenyl)amino]-5-methyl-pyrrolo[1,2-b]pyridazine-6-carboxylic acid Openeye Name: 3-cyano-4-(2-fluoro-4-phenoxy-anilino)-5-methyl-pyrrolo[1,2-b]pyridazine-6-carboxylic acid CAS Name: 3-cyano-4-(2-fluoro-4-phenoxyanilino)-5-methyl-6-pyrrolo[1,2-b]pyridazinecarboxylic acid IUPAC Name: 3-cyano-4-(2-fluoro-4-phenoxyanilino)-5-methylpyrrolo[1,2-b]pyridazine-6-carboxylic acid Traditional Name: 3-cyano-4-(2-fluoro-4-phenoxy-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=C(C=C(C=C3)OC4=CC=CC=C4)F

Isomeric SMILES

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

InChI

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