4-[[4-[(E)-3-(5-bromanyl-2-fluoranyl-phenyl)prop-2-enoyl]piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[(E)-3-(5-bromanyl-2-fluoranyl-phenyl)prop-2-enoyl]piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[(E)-3-(5-bromo-2-fluoro-phenyl)prop-2-enoyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(E)-3-(5-bromo-2-fluorophenyl)-1-oxoprop-2-enyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[(E)-3-(5-bromo-2-fluorophenyl)prop-2-enoyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[(E)-3-(5-bromo-2-fluoro-phenyl)acryloyl]piperazino]methyl]benzonitrile Formula: C21H19BrFN3O MolecularWeight: 428.297463

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)C=CC3=C(C=CC(=C3)Br)F

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)/C=C/C3=C(C=CC(=C3)Br)F

InChI

InChI=1S/C21H19BrFN3O/c22-19-6-7-20(23)18(13-19)5-8-21(27)26-11-9-25(10-12-26)15-17-3-1-16(14-24)2-4-17/h1-8,13H,9-12,15H2/b8-5+