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

Systemtic Name: 4-[1-(4-azanylbutyl)indol-3-yl]-3-(1H-indol-3-yl)-2-oxidanylidene-1H-imidazole-5-carbonitrile; ethanoyl fluoride Openeye Name: acetyl fluoride; 4-[1-(4-aminobutyl)indol-3-yl]-3-(1H-indol-3-yl)-2-oxo-1H-imidazole-5-carbonitrile CAS Name: acetyl fluoride; 4-[1-(4-aminobutyl)-3-indolyl]-3-(1H-indol-3-yl)-2-oxo-1H-imidazole-5-carbonitrile IUPAC Name: acetyl fluoride; 4-[1-(4-aminobutyl)indol-3-yl]-3-(1H-indol-3-yl)-2-oxo-1H-imidazole-5-carbonitrile Traditional Name: acetyl fluoride; 5-[1-(4-aminobutyl)indol-3-yl]-1-(1H-indol-3-yl)-2-keto-4-imidazoline-4-carbonitrile Formula: C30H31F3N6O4 MolecularWeight: 596.60015

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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)CCCCN

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)CCCCN

InChI

InChI=1S/C24H22N6O.3C2H3FO/c25-11-5-6-12-29-15-18(16-7-2-4-10-21(16)29)23-20(13-26)28-24(31)30(23)22-14-27-19-9-3-1-8-17(19)22;3*1-2(3)4/h1-4,7-10,14-15,27H,5-6,11-12,25H2,(H,28,31);3*1H3