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

Systemtic Name: 3-fluoranyl-2-[6-(3-methyl-3-oxidanyl-but-1-ynyl)-3H-phenanthro[9,10-d]imidazol-2-yl]benzenecarbonitrile Openeye Name: 3-fluoro-2-[6-(3-hydroxy-3-methyl-but-1-ynyl)-3H-phenanthro[9,10-d]imidazol-2-yl]benzonitrile CAS Name: 3-fluoro-2-[6-(3-hydroxy-3-methylbut-1-ynyl)-3H-phenanthro[9,10-d]imidazol-2-yl]benzonitrile IUPAC Name: 3-fluoro-2-[6-(3-hydroxy-3-methylbut-1-ynyl)-3H-phenanthro[9,10-d]imidazol-2-yl]benzonitrile Traditional Name: 3-fluoro-2-[6-(3-hydroxy-3-methyl-but-1-ynyl)-3H-phenanthr[9,10-d]imidazol-2-yl]benzonitrile Formula: C27H18FN3O MolecularWeight: 419.449723

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=CC2=C(C=C1)C3=C(C4=CC=CC=C42)N=C(N3)C5=C(C=CC=C5F)C#N)O

Isomeric SMILES

CC(C)(C#CC1=CC2=C(C=C1)C3=C(C4=CC=CC=C42)N=C(N3)C5=C(C=CC=C5F)C#N)O

InChI

InChI=1S/C27H18FN3O/c1-27(2,32)13-12-16-10-11-20-21(14-16)18-7-3-4-8-19(18)24-25(20)31-26(30-24)23-17(15-29)6-5-9-22(23)28/h3-11,14,32H,1-2H3,(H,30,31)