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

Systemtic Name: 3-cyano-5-methyl-N-(6-oxidanylhexyl)-4-[(4-phenoxyphenyl)amino]pyrrolo[1,2-b]pyridazine-6-carboxamide Openeye Name: 3-cyano-N-(6-hydroxyhexyl)-5-methyl-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazine-6-carboxamide CAS Name: 3-cyano-N-(6-hydroxyhexyl)-5-methyl-4-(4-phenoxyanilino)-6-pyrrolo[1,2-b]pyridazinecarboxamide IUPAC Name: 3-cyano-N-(6-hydroxyhexyl)-5-methyl-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazine-6-carboxamide Traditional Name: 3-cyano-N-(6-hydroxyhexyl)-5-methyl-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazine-6-carboxamide Formula: C28H29N5O3 MolecularWeight: 483.56156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=NN2C=C1C(=O)NCCCCCCO)C#N)NC3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

CC1=C2C(=C(C=NN2C=C1C(=O)NCCCCCCO)C#N)NC3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C28H29N5O3/c1-20-25(28(35)30-15-7-2-3-8-16-34)19-33-27(20)26(21(17-29)18-31-33)32-22-11-13-24(14-12-22)36-23-9-5-4-6-10-23/h4-6,9-14,18-19,32,34H,2-3,7-8,15-16H2,1H3,(H,30,35)