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

Systemtic Name: ethyl 3-cyano-5-(ethoxymethyl)-4-[(4-phenoxyphenyl)amino]pyrrolo[1,2-b]pyridazine-6-carboxylate Openeye Name: ethyl 3-cyano-5-(ethoxymethyl)-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazine-6-carboxylate CAS Name: 3-cyano-5-(ethoxymethyl)-4-(4-phenoxyanilino)-6-pyrrolo[1,2-b]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-cyano-5-(ethoxymethyl)-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazine-6-carboxylate Traditional Name: 3-cyano-5-(ethoxymethyl)-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazine-6-carboxylic acid ethyl ester Formula: C26H24N4O4 MolecularWeight: 456.49316

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC1=C2C(=C(C=NN2C=C1C(=O)OCC)C#N)NC3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

CCOCC1=C2C(=C(C=NN2C=C1C(=O)OCC)C#N)NC3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C26H24N4O4/c1-3-32-17-23-22(26(31)33-4-2)16-30-25(23)24(18(14-27)15-28-30)29-19-10-12-21(13-11-19)34-20-8-6-5-7-9-20/h5-13,15-16,29H,3-4,17H2,1-2H3