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

Systemtic Name: 3-cyano-5-methyl-4-[(4-phenoxyphenyl)amino]-N-(phenylmethyl)pyrrolo[1,2-b]pyridazine-6-carboxamide Openeye Name: N-benzyl-3-cyano-5-methyl-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazine-6-carboxamide CAS Name: 3-cyano-5-methyl-4-(4-phenoxyanilino)-N-(phenylmethyl)-6-pyrrolo[1,2-b]pyridazinecarboxamide IUPAC Name: N-benzyl-3-cyano-5-methyl-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazine-6-carboxamide Traditional Name: N-benzyl-3-cyano-5-methyl-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazine-6-carboxamide Formula: C29H23N5O2 MolecularWeight: 473.52522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=NN2C=C1C(=O)NCC3=CC=CC=C3)C#N)NC4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

CC1=C2C(=C(C=NN2C=C1C(=O)NCC3=CC=CC=C3)C#N)NC4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C29H23N5O2/c1-20-26(29(35)31-17-21-8-4-2-5-9-21)19-34-28(20)27(22(16-30)18-32-34)33-23-12-14-25(15-13-23)36-24-10-6-3-7-11-24/h2-15,18-19,33H,17H2,1H3,(H,31,35)