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

Systemtic Name: 3-cyano-5,7-dimethyl-4-[(4-phenoxyphenyl)amino]pyrrolo[1,2-b]pyridazine-6-carboxylic acid Openeye Name: 3-cyano-5,7-dimethyl-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazine-6-carboxylic acid CAS Name: 3-cyano-5,7-dimethyl-4-(4-phenoxyanilino)-6-pyrrolo[1,2-b]pyridazinecarboxylic acid IUPAC Name: 3-cyano-5,7-dimethyl-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazine-6-carboxylic acid Traditional Name: 3-cyano-5,7-dimethyl-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazine-6-carboxylic acid Formula: C23H18N4O3 MolecularWeight: 398.41402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H18N4O3/c1-14-20(23(28)29)15(2)27-22(14)21(16(12-24)13-25-27)26-17-8-10-19(11-9-17)30-18-6-4-3-5-7-18/h3-11,13,26H,1-2H3,(H,28,29)