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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=NN2C=C1CCCC(=O)N)C#N)NC3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

CC1=C2C(=C(C=NN2C=C1CCCC(=O)N)C#N)NC3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C25H23N5O2/c1-17-18(6-5-9-23(27)31)16-30-25(17)24(19(14-26)15-28-30)29-20-10-12-22(13-11-20)32-21-7-3-2-4-8-21/h2-4,7-8,10-13,15-16,29H,5-6,9H2,1H3,(H2,27,31)