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

Systemtic Name: ethanoyl fluoride; 3-(1-methylindol-3-yl)-2-oxidanylidene-4-[1-(pyrrolidin-2-ylmethyl)indol-3-yl]-1H-imidazole-5-carbonitrile Openeye Name: acetyl fluoride; 3-(1-methylindol-3-yl)-2-oxo-4-[1-(pyrrolidin-2-ylmethyl)indol-3-yl]-1H-imidazole-5-carbonitrile CAS Name: acetyl fluoride; 3-(1-methyl-3-indolyl)-2-oxo-4-[1-(2-pyrrolidinylmethyl)-3-indolyl]-1H-imidazole-5-carbonitrile IUPAC Name: acetyl fluoride; 3-(1-methylindol-3-yl)-2-oxo-4-[1-(pyrrolidin-2-ylmethyl)indol-3-yl]-1H-imidazole-5-carbonitrile Traditional Name: acetyl fluoride; 2-keto-1-(1-methylindol-3-yl)-5-[1-(pyrrolidin-2-ylmethyl)indol-3-yl]-4-imidazoline-4-carbonitrile Formula: C32H33F3N6O4 MolecularWeight: 622.63743

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)F.CC(=O)F.CC(=O)F.CN1C=C(C2=CC=CC=C21)N3C(=C(NC3=O)C#N)C4=CN(C5=CC=CC=C54)CC6CCCN6

Isomeric SMILES

CC(=O)F.CC(=O)F.CC(=O)F.CN1C=C(C2=CC=CC=C21)N3C(=C(NC3=O)C#N)C4=CN(C5=CC=CC=C54)CC6CCCN6

InChI

InChI=1S/C26H24N6O.3C2H3FO/c1-30-16-24(19-9-3-4-10-22(19)30)32-25(21(13-27)29-26(32)33)20-15-31(14-17-7-6-12-28-17)23-11-5-2-8-18(20)23;3*1-2(3)4/h2-5,8-11,15-17,28H,6-7,12,14H2,1H3,(H,29,33);3*1H3