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

Systemtic Name: [3-cyano-4-[[4-(3-fluoranylphenoxy)phenyl]amino]-5-methyl-pyrrolo[1,2-b]pyridazin-6-yl]carbamic acid Openeye Name: [3-cyano-4-[4-(3-fluorophenoxy)anilino]-5-methyl-pyrrolo[1,2-b]pyridazin-6-yl]carbamic acid CAS Name: [3-cyano-4-[4-(3-fluorophenoxy)anilino]-5-methyl-6-pyrrolo[1,2-b]pyridazinyl]carbamic acid IUPAC Name: [3-cyano-4-[4-(3-fluorophenoxy)anilino]-5-methylpyrrolo[1,2-b]pyridazin-6-yl]carbamic acid Traditional Name: [3-cyano-4-[4-(3-fluorophenoxy)anilino]-5-methyl-pyrrolo[1,2-b]pyridazin-6-yl]carbamic acid Formula: C22H16FN5O3 MolecularWeight: 417.392543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=NN2C=C1NC(=O)O)C#N)NC3=CC=C(C=C3)OC4=CC(=CC=C4)F

Isomeric SMILES

CC1=C2C(=C(C=NN2C=C1NC(=O)O)C#N)NC3=CC=C(C=C3)OC4=CC(=CC=C4)F

InChI

InChI=1S/C22H16FN5O3/c1-13-19(27-22(29)30)12-28-21(13)20(14(10-24)11-25-28)26-16-5-7-17(8-6-16)31-18-4-2-3-15(23)9-18/h2-9,11-12,26-27H,1H3,(H,29,30)