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

Systemtic Name: ethyl 3-cyano-5-methyl-4-[(4-phenylmethoxyphenyl)amino]pyrrolo[1,2-b]pyridazine-6-carboxylate Openeye Name: ethyl 4-(4-benzyloxyanilino)-3-cyano-5-methyl-pyrrolo[1,2-b]pyridazine-6-carboxylate CAS Name: 3-cyano-5-methyl-4-(4-phenylmethoxyanilino)-6-pyrrolo[1,2-b]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-cyano-5-methyl-4-(4-phenylmethoxyanilino)pyrrolo[1,2-b]pyridazine-6-carboxylate Traditional Name: 4-(4-benzoxyanilino)-3-cyano-5-methyl-pyrrolo[1,2-b]pyridazine-6-carboxylic acid ethyl ester Formula: C25H22N4O3 MolecularWeight: 426.46718

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN2C(=C1C)C(=C(C=N2)C#N)NC3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CN2C(=C1C)C(=C(C=N2)C#N)NC3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C25H22N4O3/c1-3-31-25(30)22-15-29-24(17(22)2)23(19(13-26)14-27-29)28-20-9-11-21(12-10-20)32-16-18-7-5-4-6-8-18/h4-12,14-15,28H,3,16H2,1-2H3