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

Systemtic Name: N-[3-cyano-5-methyl-4-[(4-phenoxyphenyl)amino]pyrrolo[1,2-b]pyridazin-6-yl]benzamide Openeye Name: N-[3-cyano-5-methyl-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazin-6-yl]benzamide CAS Name: N-[3-cyano-5-methyl-4-(4-phenoxyanilino)-6-pyrrolo[1,2-b]pyridazinyl]benzamide IUPAC Name: N-[3-cyano-5-methyl-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazin-6-yl]benzamide Traditional Name: N-[3-cyano-5-methyl-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazin-6-yl]benzamide Formula: C28H21N5O2 MolecularWeight: 459.49864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H21N5O2/c1-19-25(32-28(34)20-8-4-2-5-9-20)18-33-27(19)26(21(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)