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

Systemtic Name: N-butyl-3-cyano-5-methyl-4-[(4-phenoxyphenyl)amino]pyrrolo[1,2-b]pyridazine-6-carboxamide Openeye Name: N-butyl-3-cyano-5-methyl-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazine-6-carboxamide CAS Name: N-butyl-3-cyano-5-methyl-4-(4-phenoxyanilino)-6-pyrrolo[1,2-b]pyridazinecarboxamide IUPAC Name: N-butyl-3-cyano-5-methyl-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazine-6-carboxamide Traditional Name: N-butyl-3-cyano-5-methyl-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazine-6-carboxamide Formula: C26H25N5O2 MolecularWeight: 439.509

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CN2C(=C1C)C(=C(C=N2)C#N)NC3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

CCCCNC(=O)C1=CN2C(=C1C)C(=C(C=N2)C#N)NC3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C26H25N5O2/c1-3-4-14-28-26(32)23-17-31-25(18(23)2)24(19(15-27)16-29-31)30-20-10-12-22(13-11-20)33-21-8-6-5-7-9-21/h5-13,16-17,30H,3-4,14H2,1-2H3,(H,28,32)