1-[2-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-1,2,4-triazole-3-carbonitrile

Systemtic Name: 1-[2-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-1,2,4-triazole-3-carbonitrile Openeye Name: 1-[2-[4-(4-acetyl-2-fluoro-phenyl)piperazin-1-yl]-2-oxo-ethyl]-1,2,4-triazole-3-carbonitrile CAS Name: 1-[2-[4-(4-acetyl-2-fluorophenyl)-1-piperazinyl]-2-oxoethyl]-1,2,4-triazole-3-carbonitrile IUPAC Name: 1-[2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,2,4-triazole-3-carbonitrile Traditional Name: 1-[2-[4-(4-acetyl-2-fluoro-phenyl)piperazino]-2-keto-ethyl]-1,2,4-triazole-3-carbonitrile Formula: C17H17FN6O2 MolecularWeight: 356.354283

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)CN3C=NC(=N3)C#N)F

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)CN3C=NC(=N3)C#N)F

InChI

InChI=1S/C17H17FN6O2/c1-12(25)13-2-3-15(14(18)8-13)22-4-6-23(7-5-22)17(26)10-24-11-20-16(9-19)21-24/h2-3,8,11H,4-7,10H2,1H3