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

Systemtic Name: 7-bromanyl-3-cyano-5-methyl-4-[(4-phenoxyphenyl)amino]pyrrolo[1,2-b]pyridazine-6-carboxylic acid Openeye Name: 7-bromo-3-cyano-5-methyl-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazine-6-carboxylic acid CAS Name: 7-bromo-3-cyano-5-methyl-4-(4-phenoxyanilino)-6-pyrrolo[1,2-b]pyridazinecarboxylic acid IUPAC Name: 7-bromo-3-cyano-5-methyl-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazine-6-carboxylic acid Traditional Name: 7-bromo-3-cyano-5-methyl-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazine-6-carboxylic acid Formula: C22H15BrN4O3 MolecularWeight: 463.2835

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H15BrN4O3/c1-13-18(22(28)29)21(23)27-20(13)19(14(11-24)12-25-27)26-15-7-9-17(10-8-15)30-16-5-3-2-4-6-16/h2-10,12,26H,1H3,(H,28,29)