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

Systemtic Name: 4-acetamido-N-[3-cyano-5-methyl-4-[(4-phenoxyphenyl)amino]pyrrolo[1,2-b]pyridazin-6-yl]benzamide Openeye Name: 4-acetamido-N-[3-cyano-5-methyl-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazin-6-yl]benzamide CAS Name: 4-acetamido-N-[3-cyano-5-methyl-4-(4-phenoxyanilino)-6-pyrrolo[1,2-b]pyridazinyl]benzamide IUPAC Name: 4-acetamido-N-[3-cyano-5-methyl-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazin-6-yl]benzamide Traditional Name: 4-acetamido-N-[3-cyano-5-methyl-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazin-6-yl]benzamide Formula: C30H24N6O3 MolecularWeight: 516.54996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H24N6O3/c1-19-27(35-30(38)21-8-10-23(11-9-21)33-20(2)37)18-36-29(19)28(22(16-31)17-32-36)34-24-12-14-26(15-13-24)39-25-6-4-3-5-7-25/h3-15,17-18,34H,1-2H3,(H,33,37)(H,35,38)