2-[3-[4-fluoranyl-3-[2-oxidanylidene-2-[4-(phenylcarbonyl)piperazin-1-yl]ethanoyl]-1H-indol-7-yl]-1H-1,2,4-triazol-5-yl]ethanenitrile

Systemtic Name: 2-[3-[4-fluoranyl-3-[2-oxidanylidene-2-[4-(phenylcarbonyl)piperazin-1-yl]ethanoyl]-1H-indol-7-yl]-1H-1,2,4-triazol-5-yl]ethanenitrile Openeye Name: 2-[3-[3-[2-(4-benzoylpiperazin-1-yl)-2-oxo-acetyl]-4-fluoro-1H-indol-7-yl]-1H-1,2,4-triazol-5-yl]acetonitrile CAS Name: 2-[3-[3-[2-(4-benzoyl-1-piperazinyl)-1,2-dioxoethyl]-4-fluoro-1H-indol-7-yl]-1H-1,2,4-triazol-5-yl]acetonitrile IUPAC Name: 2-[3-[3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-fluoro-1H-indol-7-yl]-1H-1,2,4-triazol-5-yl]acetonitrile Traditional Name: 2-[3-[3-[2-(4-benzoylpiperazino)-2-keto-acetyl]-4-fluoro-1H-indol-7-yl]-1H-1,2,4-triazol-5-yl]acetonitrile Formula: C25H20FN7O3 MolecularWeight: 485.469803

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)C(=O)C3=CNC4=C(C=CC(=C34)F)C5=NNC(=N5)CC#N

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)C(=O)C3=CNC4=C(C=CC(=C34)F)C5=NNC(=N5)CC#N

InChI

InChI=1S/C25H20FN7O3/c26-18-7-6-16(23-29-19(8-9-27)30-31-23)21-20(18)17(14-28-21)22(34)25(36)33-12-10-32(11-13-33)24(35)15-4-2-1-3-5-15/h1-7,14,28H,8,10-13H2,(H,29,30,31)