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

Systemtic Name: 3-cyano-5-methyl-4-[(4-phenoxyphenyl)amino]-N-phenyl-pyrrolo[1,2-b]pyridazine-6-carboxamide Openeye Name: 3-cyano-5-methyl-4-(4-phenoxyanilino)-N-phenyl-pyrrolo[1,2-b]pyridazine-6-carboxamide CAS Name: 3-cyano-5-methyl-4-(4-phenoxyanilino)-N-phenyl-6-pyrrolo[1,2-b]pyridazinecarboxamide IUPAC Name: 3-cyano-5-methyl-4-(4-phenoxyanilino)-N-phenylpyrrolo[1,2-b]pyridazine-6-carboxamide Traditional Name: 3-cyano-5-methyl-4-(4-phenoxyanilino)-N-phenyl-pyrrolo[1,2-b]pyridazine-6-carboxamide Formula: C28H21N5O2 MolecularWeight: 459.49864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H21N5O2/c1-19-25(28(34)32-21-8-4-2-5-9-21)18-33-27(19)26(20(16-29)17-30-33)31-22-12-14-24(15-13-22)35-23-10-6-3-7-11-23/h2-15,17-18,31H,1H3,(H,32,34)