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

Systemtic Name: 4-[1-(4-azanylbutyl)indol-3-yl]-2-oxidanylidene-3-(1-propylindol-3-yl)-1H-imidazole-5-carbonitrile; ethanoyl fluoride Openeye Name: acetyl fluoride; 4-[1-(4-aminobutyl)indol-3-yl]-2-oxo-3-(1-propylindol-3-yl)-1H-imidazole-5-carbonitrile CAS Name: acetyl fluoride; 4-[1-(4-aminobutyl)-3-indolyl]-2-oxo-3-(1-propyl-3-indolyl)-1H-imidazole-5-carbonitrile IUPAC Name: acetyl fluoride; 4-[1-(4-aminobutyl)indol-3-yl]-2-oxo-3-(1-propylindol-3-yl)-1H-imidazole-5-carbonitrile Traditional Name: acetyl fluoride; 5-[1-(4-aminobutyl)indol-3-yl]-2-keto-1-(1-propylindol-3-yl)-4-imidazoline-4-carbonitrile Formula: C33H37F3N6O4 MolecularWeight: 638.67989

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=C(C2=CC=CC=C21)N3C(=C(NC3=O)C#N)C4=CN(C5=CC=CC=C54)CCCCN.CC(=O)F.CC(=O)F.CC(=O)F

Isomeric SMILES

CCCN1C=C(C2=CC=CC=C21)N3C(=C(NC3=O)C#N)C4=CN(C5=CC=CC=C54)CCCCN.CC(=O)F.CC(=O)F.CC(=O)F

InChI

InChI=1S/C27H28N6O.3C2H3FO/c1-2-14-31-18-25(20-10-4-6-12-24(20)31)33-26(22(16-29)30-27(33)34)21-17-32(15-8-7-13-28)23-11-5-3-9-19(21)23;3*1-2(3)4/h3-6,9-12,17-18H,2,7-8,13-15,28H2,1H3,(H,30,34);3*1H3