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

Systemtic Name: 3-cyano-5-methyl-4-[(3-phenoxyphenyl)amino]pyrrolo[1,2-b]pyridazine-6-carboxylic acid Openeye Name: 3-cyano-5-methyl-4-(3-phenoxyanilino)pyrrolo[1,2-b]pyridazine-6-carboxylic acid CAS Name: 3-cyano-5-methyl-4-(3-phenoxyanilino)-6-pyrrolo[1,2-b]pyridazinecarboxylic acid IUPAC Name: 3-cyano-5-methyl-4-(3-phenoxyanilino)pyrrolo[1,2-b]pyridazine-6-carboxylic acid Traditional Name: 3-cyano-5-methyl-4-(3-phenoxyanilino)pyrrolo[1,2-b]pyridazine-6-carboxylic acid Formula: C22H16N4O3 MolecularWeight: 384.38744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H16N4O3/c1-14-19(22(27)28)13-26-21(14)20(15(11-23)12-24-26)25-16-6-5-9-18(10-16)29-17-7-3-2-4-8-17/h2-10,12-13,25H,1H3,(H,27,28)