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

Systemtic Name: ethanoyl fluoride; 4-[1-(3-imidazol-1-ylpropyl)indol-3-yl]-3-(1-methylindol-3-yl)-2-oxidanylidene-1H-imidazole-5-carbonitrile Openeye Name: acetyl fluoride; 4-[1-(3-imidazol-1-ylpropyl)indol-3-yl]-3-(1-methylindol-3-yl)-2-oxo-1H-imidazole-5-carbonitrile CAS Name: acetyl fluoride; 4-[1-[3-(1-imidazolyl)propyl]-3-indolyl]-3-(1-methyl-3-indolyl)-2-oxo-1H-imidazole-5-carbonitrile IUPAC Name: acetyl fluoride; 4-[1-(3-imidazol-1-ylpropyl)indol-3-yl]-3-(1-methylindol-3-yl)-2-oxo-1H-imidazole-5-carbonitrile Traditional Name: acetyl fluoride; 5-[1-(3-imidazol-1-ylpropyl)indol-3-yl]-2-keto-1-(1-methylindol-3-yl)-4-imidazoline-4-carbonitrile Formula: C33H32F3N7O4 MolecularWeight: 647.64689

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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)CCCN6C=CN=C6

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)CCCN6C=CN=C6

InChI

InChI=1S/C27H23N7O.3C2H3FO/c1-31-17-25(20-8-3-4-9-23(20)31)34-26(22(15-28)30-27(34)35)21-16-33(24-10-5-2-7-19(21)24)13-6-12-32-14-11-29-18-32;3*1-2(3)4/h2-5,7-11,14,16-18H,6,12-13H2,1H3,(H,30,35);3*1H3