N-[3-cyano-5-methyl-4-[(4-phenoxyphenyl)amino]pyrrolo[1,2-b]pyridazin-6-yl]butanamide

Systemtic Name: N-[3-cyano-5-methyl-4-[(4-phenoxyphenyl)amino]pyrrolo[1,2-b]pyridazin-6-yl]butanamide Openeye Name: N-[3-cyano-5-methyl-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazin-6-yl]butanamide CAS Name: N-[3-cyano-5-methyl-4-(4-phenoxyanilino)-6-pyrrolo[1,2-b]pyridazinyl]butanamide IUPAC Name: N-[3-cyano-5-methyl-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazin-6-yl]butanamide Traditional Name: N-[3-cyano-5-methyl-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazin-6-yl]butyramide Formula: C25H23N5O2 MolecularWeight: 425.48242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CN2C(=C1C)C(=C(C=N2)C#N)NC3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

CCCC(=O)NC1=CN2C(=C1C)C(=C(C=N2)C#N)NC3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C25H23N5O2/c1-3-7-23(31)29-22-16-30-25(17(22)2)24(18(14-26)15-27-30)28-19-10-12-21(13-11-19)32-20-8-5-4-6-9-20/h4-6,8-13,15-16,28H,3,7H2,1-2H3,(H,29,31)