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

Systemtic Name: N-[3-cyano-5-methyl-4-[(4-phenoxyphenyl)amino]pyrrolo[1,2-b]pyridazin-6-yl]-1,2-oxazole-5-carboxamide Openeye Name: N-[3-cyano-5-methyl-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazin-6-yl]isoxazole-5-carboxamide CAS Name: N-[3-cyano-5-methyl-4-(4-phenoxyanilino)-6-pyrrolo[1,2-b]pyridazinyl]-5-isoxazolecarboxamide IUPAC Name: N-[3-cyano-5-methyl-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazin-6-yl]-1,2-oxazole-5-carboxamide Traditional Name: N-[3-cyano-5-methyl-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazin-6-yl]isoxazole-5-carboxamide Formula: C25H18N6O3 MolecularWeight: 450.44882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=NN2C=C1NC(=O)C3=CC=NO3)C#N)NC4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

CC1=C2C(=C(C=NN2C=C1NC(=O)C3=CC=NO3)C#N)NC4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C25H18N6O3/c1-16-21(30-25(32)22-11-12-28-34-22)15-31-24(16)23(17(13-26)14-27-31)29-18-7-9-20(10-8-18)33-19-5-3-2-4-6-19/h2-12,14-15,29H,1H3,(H,30,32)