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

Systemtic Name: 3-cyano-5-methyl-4-[(4-phenoxyphenyl)amino]-N-pyridin-2-yl-pyrrolo[1,2-b]pyridazine-6-carboxamide Openeye Name: 3-cyano-5-methyl-4-(4-phenoxyanilino)-N-(2-pyridyl)pyrrolo[1,2-b]pyridazine-6-carboxamide CAS Name: 3-cyano-5-methyl-4-(4-phenoxyanilino)-N-(2-pyridinyl)-6-pyrrolo[1,2-b]pyridazinecarboxamide IUPAC Name: 3-cyano-5-methyl-4-(4-phenoxyanilino)-N-pyridin-2-ylpyrrolo[1,2-b]pyridazine-6-carboxamide Traditional Name: 3-cyano-5-methyl-4-(4-phenoxyanilino)-N-(2-pyridyl)pyrrolo[1,2-b]pyridazine-6-carboxamide Formula: C27H20N6O2 MolecularWeight: 460.4867

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=NN2C=C1C(=O)NC3=CC=CC=N3)C#N)NC4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

CC1=C2C(=C(C=NN2C=C1C(=O)NC3=CC=CC=N3)C#N)NC4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C27H20N6O2/c1-18-23(27(34)32-24-9-5-6-14-29-24)17-33-26(18)25(19(15-28)16-30-33)31-20-10-12-22(13-11-20)35-21-7-3-2-4-8-21/h2-14,16-17,31H,1H3,(H,29,32,34)