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

Systemtic Name: [4-[[4-(2-azanylphenoxy)phenyl]amino]-3-cyano-5-methyl-pyrrolo[1,2-b]pyridazin-6-yl]carbamic acid Openeye Name: [4-[4-(2-aminophenoxy)anilino]-3-cyano-5-methyl-pyrrolo[1,2-b]pyridazin-6-yl]carbamic acid CAS Name: [4-[4-(2-aminophenoxy)anilino]-3-cyano-5-methyl-6-pyrrolo[1,2-b]pyridazinyl]carbamic acid IUPAC Name: [4-[4-(2-aminophenoxy)anilino]-3-cyano-5-methylpyrrolo[1,2-b]pyridazin-6-yl]carbamic acid Traditional Name: [4-[4-(2-aminophenoxy)anilino]-3-cyano-5-methyl-pyrrolo[1,2-b]pyridazin-6-yl]carbamic acid Formula: C22H18N6O3 MolecularWeight: 414.41672

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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=C4N

Isomeric SMILES

CC1=C2C(=C(C=NN2C=C1NC(=O)O)C#N)NC3=CC=C(C=C3)OC4=CC=CC=C4N

InChI

InChI=1S/C22H18N6O3/c1-13-18(27-22(29)30)12-28-21(13)20(14(10-23)11-25-28)26-15-6-8-16(9-7-15)31-19-5-3-2-4-17(19)24/h2-9,11-12,26-27H,24H2,1H3,(H,29,30)