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

Systemtic Name: 3-cyano-5-methyl-4-[(4-phenoxyphenyl)amino]-N-pyridin-3-yl-pyrrolo[1,2-b]pyridazine-6-carboxamide Openeye Name: 3-cyano-5-methyl-4-(4-phenoxyanilino)-N-(3-pyridyl)pyrrolo[1,2-b]pyridazine-6-carboxamide CAS Name: 3-cyano-5-methyl-4-(4-phenoxyanilino)-N-(3-pyridinyl)-6-pyrrolo[1,2-b]pyridazinecarboxamide IUPAC Name: 3-cyano-5-methyl-4-(4-phenoxyanilino)-N-pyridin-3-ylpyrrolo[1,2-b]pyridazine-6-carboxamide Traditional Name: 3-cyano-5-methyl-4-(4-phenoxyanilino)-N-(3-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=CN=CC=C3)C#N)NC4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

CC1=C2C(=C(C=NN2C=C1C(=O)NC3=CN=CC=C3)C#N)NC4=CC=C(C=C4)OC5=CC=CC=C5

InChI

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