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

Systemtic Name: 2-[6-bromanyl-9-(3-methyl-3-oxidanyl-but-1-ynyl)-1H-phenanthro[9,10-d]imidazol-2-yl]-3-fluoranyl-benzenecarbonitrile Openeye Name: 2-[6-bromo-9-(3-hydroxy-3-methyl-but-1-ynyl)-1H-phenanthro[9,10-d]imidazol-2-yl]-3-fluoro-benzonitrile CAS Name: 2-[6-bromo-9-(3-hydroxy-3-methylbut-1-ynyl)-1H-phenanthro[9,10-d]imidazol-2-yl]-3-fluorobenzonitrile IUPAC Name: 2-[6-bromo-9-(3-hydroxy-3-methylbut-1-ynyl)-1H-phenanthro[9,10-d]imidazol-2-yl]-3-fluorobenzonitrile Traditional Name: 2-[6-bromo-9-(3-hydroxy-3-methyl-but-1-ynyl)-1H-phenanthr[9,10-d]imidazol-2-yl]-3-fluoro-benzonitrile Formula: C27H17BrFN3O MolecularWeight: 498.345783

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C27H17BrFN3O/c1-27(2,33)11-10-15-6-8-18-20(12-15)21-13-17(28)7-9-19(21)25-24(18)31-26(32-25)23-16(14-30)4-3-5-22(23)29/h3-9,12-13,33H,1-2H3,(H,31,32)