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

Systemtic Name: 4-[1-(2-azanylethyl)indol-3-yl]-3-(1H-indol-3-yl)-2-oxidanylidene-1H-imidazole-5-carbonitrile; ethanoyl fluoride Openeye Name: acetyl fluoride; 4-[1-(2-aminoethyl)indol-3-yl]-3-(1H-indol-3-yl)-2-oxo-1H-imidazole-5-carbonitrile CAS Name: acetyl fluoride; 4-[1-(2-aminoethyl)-3-indolyl]-3-(1H-indol-3-yl)-2-oxo-1H-imidazole-5-carbonitrile IUPAC Name: acetyl fluoride; 4-[1-(2-aminoethyl)indol-3-yl]-3-(1H-indol-3-yl)-2-oxo-1H-imidazole-5-carbonitrile Traditional Name: acetyl fluoride; 5-[1-(2-aminoethyl)indol-3-yl]-1-(1H-indol-3-yl)-2-keto-4-imidazoline-4-carbonitrile Formula: C28H27F3N6O4 MolecularWeight: 568.54699

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)F.CC(=O)F.CC(=O)F.C1=CC=C2C(=C1)C(=CN2)N3C(=C(NC3=O)C#N)C4=CN(C5=CC=CC=C54)CCN

Isomeric SMILES

CC(=O)F.CC(=O)F.CC(=O)F.C1=CC=C2C(=C1)C(=CN2)N3C(=C(NC3=O)C#N)C4=CN(C5=CC=CC=C54)CCN

InChI

InChI=1S/C22H18N6O.3C2H3FO/c23-9-10-27-13-16(14-5-2-4-8-19(14)27)21-18(11-24)26-22(29)28(21)20-12-25-17-7-3-1-6-15(17)20;3*1-2(3)4/h1-8,12-13,25H,9-10,23H2,(H,26,29);3*1H3