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

Systemtic Name: 3-cyano-N-cyclopentyl-5-methyl-4-[(4-phenoxyphenyl)amino]pyrrolo[1,2-b]pyridazine-6-carboxamide Openeye Name: 3-cyano-N-cyclopentyl-5-methyl-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazine-6-carboxamide CAS Name: 3-cyano-N-cyclopentyl-5-methyl-4-(4-phenoxyanilino)-6-pyrrolo[1,2-b]pyridazinecarboxamide IUPAC Name: 3-cyano-N-cyclopentyl-5-methyl-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazine-6-carboxamide Traditional Name: 3-cyano-N-cyclopentyl-5-methyl-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazine-6-carboxamide Formula: C27H25N5O2 MolecularWeight: 451.5197

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=NN2C=C1C(=O)NC3CCCC3)C#N)NC4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

CC1=C2C(=C(C=NN2C=C1C(=O)NC3CCCC3)C#N)NC4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C27H25N5O2/c1-18-24(27(33)31-20-7-5-6-8-20)17-32-26(18)25(19(15-28)16-29-32)30-21-11-13-23(14-12-21)34-22-9-3-2-4-10-22/h2-4,9-14,16-17,20,30H,5-8H2,1H3,(H,31,33)