2-fluoranyl-6-[4-(3-phenylbutanoyl)piperazin-1-yl]benzenecarbonitrile

Systemtic Name: 2-fluoranyl-6-[4-(3-phenylbutanoyl)piperazin-1-yl]benzenecarbonitrile Openeye Name: 2-fluoro-6-[4-(3-phenylbutanoyl)piperazin-1-yl]benzonitrile CAS Name: 2-fluoro-6-[4-(1-oxo-3-phenylbutyl)-1-piperazinyl]benzonitrile IUPAC Name: 2-fluoro-6-[4-(3-phenylbutanoyl)piperazin-1-yl]benzonitrile Traditional Name: 2-fluoro-6-[4-(3-phenylbutanoyl)piperazino]benzonitrile Formula: C21H22FN3O MolecularWeight: 351.417283

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)N1CCN(CC1)C2=C(C(=CC=C2)F)C#N)C3=CC=CC=C3

Isomeric SMILES

CC(CC(=O)N1CCN(CC1)C2=C(C(=CC=C2)F)C#N)C3=CC=CC=C3

InChI

InChI=1S/C21H22FN3O/c1-16(17-6-3-2-4-7-17)14-21(26)25-12-10-24(11-13-25)20-9-5-8-19(22)18(20)15-23/h2-9,16H,10-14H2,1H3