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

Systemtic Name: ethyl 3-cyano-5,7-dimethyl-4-[(4-phenoxyphenyl)amino]pyrrolo[1,2-b]pyridazine-6-carboxylate Openeye Name: ethyl 3-cyano-5,7-dimethyl-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazine-6-carboxylate CAS Name: 3-cyano-5,7-dimethyl-4-(4-phenoxyanilino)-6-pyrrolo[1,2-b]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-cyano-5,7-dimethyl-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazine-6-carboxylate Traditional Name: 3-cyano-5,7-dimethyl-4-(4-phenoxyanilino)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=C(N2C(=C1C)C(=C(C=N2)C#N)NC3=CC=C(C=C3)OC4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(N2C(=C1C)C(=C(C=N2)C#N)NC3=CC=C(C=C3)OC4=CC=CC=C4)C

InChI

InChI=1S/C25H22N4O3/c1-4-31-25(30)22-16(2)24-23(18(14-26)15-27-29(24)17(22)3)28-19-10-12-21(13-11-19)32-20-8-6-5-7-9-20/h5-13,15,28H,4H2,1-3H3