ethanoyl fluoride; 3-(1-methylindol-3-yl)-2-oxidanylidene-4-(1-pyrrolidin-2-ylcarbonylindol-3-yl)-1H-imidazole-5-carbonitrile

Systemtic Name: ethanoyl fluoride; 3-(1-methylindol-3-yl)-2-oxidanylidene-4-(1-pyrrolidin-2-ylcarbonylindol-3-yl)-1H-imidazole-5-carbonitrile Openeye Name: acetyl fluoride; 3-(1-methylindol-3-yl)-2-oxo-4-[1-(pyrrolidine-2-carbonyl)indol-3-yl]-1H-imidazole-5-carbonitrile CAS Name: acetyl fluoride; 3-(1-methyl-3-indolyl)-2-oxo-4-[1-[oxo(2-pyrrolidinyl)methyl]-3-indolyl]-1H-imidazole-5-carbonitrile IUPAC Name: acetyl fluoride; 3-(1-methylindol-3-yl)-2-oxo-4-[1-(pyrrolidine-2-carbonyl)indol-3-yl]-1H-imidazole-5-carbonitrile Traditional Name: acetyl fluoride; 2-keto-1-(1-methylindol-3-yl)-5-(1-prolylindol-3-yl)-4-imidazoline-4-carbonitrile Formula: C32H31F3N6O5 MolecularWeight: 636.62095

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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)C(=O)C6CCCN6

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)C(=O)C6CCCN6

InChI

InChI=1S/C26H22N6O2.3C2H3FO/c1-30-15-23(17-8-3-4-10-21(17)30)32-24(20(13-27)29-26(32)34)18-14-31(22-11-5-2-7-16(18)22)25(33)19-9-6-12-28-19;3*1-2(3)4/h2-5,7-8,10-11,14-15,19,28H,6,9,12H2,1H3,(H,29,34);3*1H3