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

Systemtic Name: 3-cyano-5-methyl-4-[(4-phenoxyphenyl)amino]-N-(pyridin-4-ylmethyl)pyrrolo[1,2-b]pyridazine-6-carboxamide Openeye Name: 3-cyano-5-methyl-4-(4-phenoxyanilino)-N-(4-pyridylmethyl)pyrrolo[1,2-b]pyridazine-6-carboxamide CAS Name: 3-cyano-5-methyl-4-(4-phenoxyanilino)-N-(pyridin-4-ylmethyl)-6-pyrrolo[1,2-b]pyridazinecarboxamide IUPAC Name: 3-cyano-5-methyl-4-(4-phenoxyanilino)-N-(pyridin-4-ylmethyl)pyrrolo[1,2-b]pyridazine-6-carboxamide Traditional Name: 3-cyano-5-methyl-4-(4-phenoxyanilino)-N-(4-pyridylmethyl)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)NCC3=CC=NC=C3)C#N)NC4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

CC1=C2C(=C(C=NN2C=C1C(=O)NCC3=CC=NC=C3)C#N)NC4=CC=C(C=C4)OC5=CC=CC=C5

InChI

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