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

Systemtic Name: 3-cyano-5-methyl-4-[(4-phenylazanylphenyl)amino]pyrrolo[1,2-b]pyridazine-6-carboxylic acid Openeye Name: 4-(4-anilinoanilino)-3-cyano-5-methyl-pyrrolo[1,2-b]pyridazine-6-carboxylic acid CAS Name: 4-(4-anilinoanilino)-3-cyano-5-methyl-6-pyrrolo[1,2-b]pyridazinecarboxylic acid IUPAC Name: 4-(4-anilinoanilino)-3-cyano-5-methylpyrrolo[1,2-b]pyridazine-6-carboxylic acid Traditional Name: 4-(4-anilinoanilino)-3-cyano-5-methyl-pyrrolo[1,2-b]pyridazine-6-carboxylic acid Formula: C22H17N5O2 MolecularWeight: 383.40268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=NN2C=C1C(=O)O)C#N)NC3=CC=C(C=C3)NC4=CC=CC=C4

Isomeric SMILES

CC1=C2C(=C(C=NN2C=C1C(=O)O)C#N)NC3=CC=C(C=C3)NC4=CC=CC=C4

InChI

InChI=1S/C22H17N5O2/c1-14-19(22(28)29)13-27-21(14)20(15(11-23)12-24-27)26-18-9-7-17(8-10-18)25-16-5-3-2-4-6-16/h2-10,12-13,25-26H,1H3,(H,28,29)