4-[1-(4-azanylbutyl)indol-3-yl]-3-(3-nitrophenyl)-2-oxidanylidene-1H-imidazole-5-carbonitrile; ethanoyl fluoride

Systemtic Name: 4-[1-(4-azanylbutyl)indol-3-yl]-3-(3-nitrophenyl)-2-oxidanylidene-1H-imidazole-5-carbonitrile; ethanoyl fluoride Openeye Name: acetyl fluoride; 4-[1-(4-aminobutyl)indol-3-yl]-3-(3-nitrophenyl)-2-oxo-1H-imidazole-5-carbonitrile CAS Name: acetyl fluoride; 4-[1-(4-aminobutyl)-3-indolyl]-3-(3-nitrophenyl)-2-oxo-1H-imidazole-5-carbonitrile IUPAC Name: acetyl fluoride; 4-[1-(4-aminobutyl)indol-3-yl]-3-(3-nitrophenyl)-2-oxo-1H-imidazole-5-carbonitrile Traditional Name: acetyl fluoride; 5-[1-(4-aminobutyl)indol-3-yl]-2-keto-1-(3-nitrophenyl)-4-imidazoline-4-carbonitrile Formula: C28H29F3N6O6 MolecularWeight: 602.56167

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)F.CC(=O)F.CC(=O)F.C1=CC=C2C(=C1)C(=CN2CCCCN)C3=C(NC(=O)N3C4=CC(=CC=C4)[N+](=O)[O-])C#N

Isomeric SMILES

CC(=O)F.CC(=O)F.CC(=O)F.C1=CC=C2C(=C1)C(=CN2CCCCN)C3=C(NC(=O)N3C4=CC(=CC=C4)[N+](=O)[O-])C#N

InChI

InChI=1S/C22H20N6O3.3C2H3FO/c23-10-3-4-11-26-14-18(17-8-1-2-9-20(17)26)21-19(13-24)25-22(29)27(21)15-6-5-7-16(12-15)28(30)31;3*1-2(3)4/h1-2,5-9,12,14H,3-4,10-11,23H2,(H,25,29);3*1H3