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

Systemtic Name: 3-cyano-5-methyl-4-[(4-phenylphenyl)amino]pyrrolo[1,2-b]pyridazine-6-carboxylic acid Openeye Name: 3-cyano-5-methyl-4-(4-phenylanilino)pyrrolo[1,2-b]pyridazine-6-carboxylic acid CAS Name: 3-cyano-5-methyl-4-(4-phenylanilino)-6-pyrrolo[1,2-b]pyridazinecarboxylic acid IUPAC Name: 3-cyano-5-methyl-4-(4-phenylanilino)pyrrolo[1,2-b]pyridazine-6-carboxylic acid Traditional Name: 3-cyano-5-methyl-4-(4-phenylanilino)pyrrolo[1,2-b]pyridazine-6-carboxylic acid Formula: C22H16N4O2 MolecularWeight: 368.38804

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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)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C22H16N4O2/c1-14-19(22(27)28)13-26-21(14)20(17(11-23)12-24-26)25-18-9-7-16(8-10-18)15-5-3-2-4-6-15/h2-10,12-13,25H,1H3,(H,27,28)