3-cyano-N-(3-imidazol-1-ylpropyl)-5-methyl-4-[(4-phenoxyphenyl)amino]pyrrolo[1,2-b]pyridazine-6-carboxamide

Systemtic Name: 3-cyano-N-(3-imidazol-1-ylpropyl)-5-methyl-4-[(4-phenoxyphenyl)amino]pyrrolo[1,2-b]pyridazine-6-carboxamide Openeye Name: 3-cyano-N-(3-imidazol-1-ylpropyl)-5-methyl-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazine-6-carboxamide CAS Name: 3-cyano-N-[3-(1-imidazolyl)propyl]-5-methyl-4-(4-phenoxyanilino)-6-pyrrolo[1,2-b]pyridazinecarboxamide IUPAC Name: 3-cyano-N-(3-imidazol-1-ylpropyl)-5-methyl-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazine-6-carboxamide Traditional Name: 3-cyano-N-(3-imidazol-1-ylpropyl)-5-methyl-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazine-6-carboxamide Formula: C28H25N7O2 MolecularWeight: 491.5438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=NN2C=C1C(=O)NCCCN3C=CN=C3)C#N)NC4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

CC1=C2C(=C(C=NN2C=C1C(=O)NCCCN3C=CN=C3)C#N)NC4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C28H25N7O2/c1-20-25(28(36)31-12-5-14-34-15-13-30-19-34)18-35-27(20)26(21(16-29)17-32-35)33-22-8-10-24(11-9-22)37-23-6-3-2-4-7-23/h2-4,6-11,13,15,17-19,33H,5,12,14H2,1H3,(H,31,36)