2-fluoranyl-6-[4-(2-oxidanyl-3-pyrazol-1-yl-propyl)piperazin-1-yl]benzenecarbonitrile

Systemtic Name: 2-fluoranyl-6-[4-(2-oxidanyl-3-pyrazol-1-yl-propyl)piperazin-1-yl]benzenecarbonitrile Openeye Name: 2-fluoro-6-[4-(2-hydroxy-3-pyrazol-1-yl-propyl)piperazin-1-yl]benzonitrile CAS Name: 2-fluoro-6-[4-[2-hydroxy-3-(1-pyrazolyl)propyl]-1-piperazinyl]benzonitrile IUPAC Name: 2-fluoro-6-[4-(2-hydroxy-3-pyrazol-1-ylpropyl)piperazin-1-yl]benzonitrile Traditional Name: 2-fluoro-6-[4-(2-hydroxy-3-pyrazol-1-yl-propyl)piperazino]benzonitrile Formula: C17H20FN5O MolecularWeight: 329.372003

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(CN2C=CC=N2)O)C3=C(C(=CC=C3)F)C#N

Isomeric SMILES

C1CN(CCN1CC(CN2C=CC=N2)O)C3=C(C(=CC=C3)F)C#N

InChI

InChI=1S/C17H20FN5O/c18-16-3-1-4-17(15(16)11-19)22-9-7-21(8-10-22)12-14(24)13-23-6-2-5-20-23/h1-6,14,24H,7-10,12-13H2