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

Systemtic Name: 3-cyano-5-methyl-4-[(4-phenylmethoxyphenyl)amino]pyrrolo[1,2-b]pyridazine-6-carboxylic acid Openeye Name: 4-(4-benzyloxyanilino)-3-cyano-5-methyl-pyrrolo[1,2-b]pyridazine-6-carboxylic acid CAS Name: 3-cyano-5-methyl-4-(4-phenylmethoxyanilino)-6-pyrrolo[1,2-b]pyridazinecarboxylic acid IUPAC Name: 3-cyano-5-methyl-4-(4-phenylmethoxyanilino)pyrrolo[1,2-b]pyridazine-6-carboxylic acid Traditional Name: 4-(4-benzoxyanilino)-3-cyano-5-methyl-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#N)NC3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

CC1=C2C(=C(C=NN2C=C1C(=O)O)C#N)NC3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C23H18N4O3/c1-15-20(23(28)29)13-27-22(15)21(17(11-24)12-25-27)26-18-7-9-19(10-8-18)30-14-16-5-3-2-4-6-16/h2-10,12-13,26H,14H2,1H3,(H,28,29)