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

Systemtic Name: N-[3-cyano-5-methyl-4-[(4-phenoxyphenyl)amino]pyrrolo[1,2-b]pyridazin-6-yl]-1,5-dimethyl-3H-pyrazol-1-ium-3-carboxamide Openeye Name: N-[3-cyano-5-methyl-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazin-6-yl]-1,5-dimethyl-3H-pyrazol-1-ium-3-carboxamide CAS Name: N-[3-cyano-5-methyl-4-(4-phenoxyanilino)-6-pyrrolo[1,2-b]pyridazinyl]-1,5-dimethyl-3H-pyrazol-1-ium-3-carboxamide IUPAC Name: N-[3-cyano-5-methyl-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazin-6-yl]-1,5-dimethyl-3H-pyrazol-1-ium-3-carboxamide Traditional Name: N-[3-cyano-5-methyl-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazin-6-yl]-1,5-dimethyl-3H-pyrazol-1-ium-3-carboxamide Formula: C27H24N7O2+ MolecularWeight: 478.52516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(N=[N+]1C)C(=O)NC2=CN3C(=C2C)C(=C(C=N3)C#N)NC4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

CC1=CC(N=[N+]1C)C(=O)NC2=CN3C(=C2C)C(=C(C=N3)C#N)NC4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C27H23N7O2/c1-17-13-23(32-33(17)3)27(35)31-24-16-34-26(18(24)2)25(19(14-28)15-29-34)30-20-9-11-22(12-10-20)36-21-7-5-4-6-8-21/h4-13,15-16,23H,1-3H3,(H-,29,30,31,35)/p+1