3-fluoranyl-2-[6-iodanyl-9-(3-methyl-3-oxidanyl-but-1-ynyl)-1H-phenanthro[9,10-d]imidazol-2-yl]benzenecarbonitrile

Systemtic Name: 3-fluoranyl-2-[6-iodanyl-9-(3-methyl-3-oxidanyl-but-1-ynyl)-1H-phenanthro[9,10-d]imidazol-2-yl]benzenecarbonitrile Openeye Name: 3-fluoro-2-[9-(3-hydroxy-3-methyl-but-1-ynyl)-6-iodo-1H-phenanthro[9,10-d]imidazol-2-yl]benzonitrile CAS Name: 3-fluoro-2-[9-(3-hydroxy-3-methylbut-1-ynyl)-6-iodo-1H-phenanthro[9,10-d]imidazol-2-yl]benzonitrile IUPAC Name: 3-fluoro-2-[9-(3-hydroxy-3-methylbut-1-ynyl)-6-iodo-1H-phenanthro[9,10-d]imidazol-2-yl]benzonitrile Traditional Name: 3-fluoro-2-[9-(3-hydroxy-3-methyl-but-1-ynyl)-6-iodo-1H-phenanthr[9,10-d]imidazol-2-yl]benzonitrile Formula: C27H17FIN3O MolecularWeight: 545.346253

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=CC2=C(C=C1)C3=C(C4=C2C=C(C=C4)I)N=C(N3)C5=C(C=CC=C5F)C#N)O

Isomeric SMILES

CC(C)(C#CC1=CC2=C(C=C1)C3=C(C4=C2C=C(C=C4)I)N=C(N3)C5=C(C=CC=C5F)C#N)O

InChI

InChI=1S/C27H17FIN3O/c1-27(2,33)11-10-15-6-8-18-20(12-15)21-13-17(29)7-9-19(21)25-24(18)31-26(32-25)23-16(14-30)4-3-5-22(23)28/h3-9,12-13,33H,1-2H3,(H,31,32)