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

Systemtic Name: methyl 7-bromanyl-3-cyano-5-methyl-4-[(4-phenoxyphenyl)amino]pyrrolo[1,2-b]pyridazine-6-carboxylate Openeye Name: methyl 7-bromo-3-cyano-5-methyl-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazine-6-carboxylate CAS Name: 7-bromo-3-cyano-5-methyl-4-(4-phenoxyanilino)-6-pyrrolo[1,2-b]pyridazinecarboxylic acid methyl ester IUPAC Name: methyl 7-bromo-3-cyano-5-methyl-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazine-6-carboxylate Traditional Name: 7-bromo-3-cyano-5-methyl-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazine-6-carboxylic acid methyl ester Formula: C23H17BrN4O3 MolecularWeight: 477.31008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=NN2C(=C1C(=O)OC)Br)C#N)NC3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

CC1=C2C(=C(C=NN2C(=C1C(=O)OC)Br)C#N)NC3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C23H17BrN4O3/c1-14-19(23(29)30-2)22(24)28-21(14)20(15(12-25)13-26-28)27-16-8-10-18(11-9-16)31-17-6-4-3-5-7-17/h3-11,13,27H,1-2H3