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

Systemtic Name: 2-[6-ethanoyl-9-(3-methyl-3-oxidanyl-but-1-ynyl)-1H-phenanthro[9,10-d]imidazol-2-yl]-3-fluoranyl-benzenecarbonitrile Openeye Name: 2-[6-acetyl-9-(3-hydroxy-3-methyl-but-1-ynyl)-1H-phenanthro[9,10-d]imidazol-2-yl]-3-fluoro-benzonitrile CAS Name: 2-[6-acetyl-9-(3-hydroxy-3-methylbut-1-ynyl)-1H-phenanthro[9,10-d]imidazol-2-yl]-3-fluorobenzonitrile IUPAC Name: 2-[6-acetyl-9-(3-hydroxy-3-methylbut-1-ynyl)-1H-phenanthro[9,10-d]imidazol-2-yl]-3-fluorobenzonitrile Traditional Name: 2-[6-acetyl-9-(3-hydroxy-3-methyl-but-1-ynyl)-1H-phenanthr[9,10-d]imidazol-2-yl]-3-fluoro-benzonitrile Formula: C29H20FN3O2 MolecularWeight: 461.486403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H20FN3O2/c1-16(34)18-8-10-21-23(14-18)22-13-17(11-12-29(2,3)35)7-9-20(22)26-27(21)33-28(32-26)25-19(15-31)5-4-6-24(25)30/h4-10,13-14,35H,1-3H3,(H,32,33)