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

Systemtic Name: N-(2-aminophenyl)-3-cyano-5-methyl-4-[(4-phenoxyphenyl)amino]pyrrolo[1,2-b]pyridazine-6-carboxamide Openeye Name: N-(2-aminophenyl)-3-cyano-5-methyl-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazine-6-carboxamide CAS Name: N-(2-aminophenyl)-3-cyano-5-methyl-4-(4-phenoxyanilino)-6-pyrrolo[1,2-b]pyridazinecarboxamide IUPAC Name: N-(2-aminophenyl)-3-cyano-5-methyl-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazine-6-carboxamide Traditional Name: N-(2-aminophenyl)-3-cyano-5-methyl-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazine-6-carboxamide Formula: C28H22N6O2 MolecularWeight: 474.51328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=NN2C=C1C(=O)NC3=CC=CC=C3N)C#N)NC4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

CC1=C2C(=C(C=NN2C=C1C(=O)NC3=CC=CC=C3N)C#N)NC4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C28H22N6O2/c1-18-23(28(35)33-25-10-6-5-9-24(25)30)17-34-27(18)26(19(15-29)16-31-34)32-20-11-13-22(14-12-20)36-21-7-3-2-4-8-21/h2-14,16-17,32H,30H2,1H3,(H,33,35)