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

Systemtic Name: N-[3-cyano-5-methyl-4-[(4-phenoxyphenyl)amino]pyrrolo[1,2-b]pyridazin-6-yl]pyridine-3-carboxamide Openeye Name: N-[3-cyano-5-methyl-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazin-6-yl]pyridine-3-carboxamide CAS Name: N-[3-cyano-5-methyl-4-(4-phenoxyanilino)-6-pyrrolo[1,2-b]pyridazinyl]-3-pyridinecarboxamide IUPAC Name: N-[3-cyano-5-methyl-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazin-6-yl]pyridine-3-carboxamide Traditional Name: N-[3-cyano-5-methyl-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazin-6-yl]nicotinamide Formula: C27H20N6O2 MolecularWeight: 460.4867

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=NN2C=C1NC(=O)C3=CN=CC=C3)C#N)NC4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

CC1=C2C(=C(C=NN2C=C1NC(=O)C3=CN=CC=C3)C#N)NC4=CC=C(C=C4)OC5=CC=CC=C5

InChI

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