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

Systemtic Name: 2-[6-bromanyl-9-(3-oxidanylidenebut-1-ynyl)-1H-phenanthro[9,10-d]imidazol-2-yl]-3-fluoranyl-benzenecarbonitrile Openeye Name: 2-[6-bromo-9-(3-oxobut-1-ynyl)-1H-phenanthro[9,10-d]imidazol-2-yl]-3-fluoro-benzonitrile CAS Name: 2-[6-bromo-9-(3-oxobut-1-ynyl)-1H-phenanthro[9,10-d]imidazol-2-yl]-3-fluorobenzonitrile IUPAC Name: 2-[6-bromo-9-(3-oxobut-1-ynyl)-1H-phenanthro[9,10-d]imidazol-2-yl]-3-fluorobenzonitrile Traditional Name: 2-[6-bromo-9-(3-ketobut-1-ynyl)-1H-phenanthr[9,10-d]imidazol-2-yl]-3-fluoro-benzonitrile Formula: C26H13BrFN3O MolecularWeight: 482.303323

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H13BrFN3O/c1-14(32)5-6-15-7-9-18-20(11-15)21-12-17(27)8-10-19(21)25-24(18)30-26(31-25)23-16(13-29)3-2-4-22(23)28/h2-4,7-12H,1H3,(H,30,31)