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

Systemtic Name: methyl 3-cyano-5-methyl-4-[(4-phenylmethoxyphenyl)amino]pyrrolo[1,2-b]pyridazine-6-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C24H20N4O3 MolecularWeight: 412.4406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=NN2C=C1C(=O)OC)C#N)NC3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

CC1=C2C(=C(C=NN2C=C1C(=O)OC)C#N)NC3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C24H20N4O3/c1-16-21(24(29)30-2)14-28-23(16)22(18(12-25)13-26-28)27-19-8-10-20(11-9-19)31-15-17-6-4-3-5-7-17/h3-11,13-14,27H,15H2,1-2H3