ethyl 3-cyano-5-(hydroxymethyl)-4-[(4-phenoxyphenyl)amino]pyrrolo[1,2-b]pyridazine-6-carboxylate

Systemtic Name: ethyl 3-cyano-5-(hydroxymethyl)-4-[(4-phenoxyphenyl)amino]pyrrolo[1,2-b]pyridazine-6-carboxylate Openeye Name: ethyl 3-cyano-5-(hydroxymethyl)-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazine-6-carboxylate CAS Name: 3-cyano-5-(hydroxymethyl)-4-(4-phenoxyanilino)-6-pyrrolo[1,2-b]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-cyano-5-(hydroxymethyl)-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazine-6-carboxylate Traditional Name: 3-cyano-5-methylol-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazine-6-carboxylic acid ethyl ester Formula: C24H20N4O4 MolecularWeight: 428.44

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN2C(=C1CO)C(=C(C=N2)C#N)NC3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CN2C(=C1CO)C(=C(C=N2)C#N)NC3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C24H20N4O4/c1-2-31-24(30)20-14-28-23(21(20)15-29)22(16(12-25)13-26-28)27-17-8-10-19(11-9-17)32-18-6-4-3-5-7-18/h3-11,13-14,27,29H,2,15H2,1H3