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

Systemtic Name: 2-[4-[(E)-3-(5-bromanyl-2-fluoranyl-phenyl)prop-2-enoyl]piperazin-1-yl]-N-phenyl-ethanamide Openeye Name: 2-[4-[(E)-3-(5-bromo-2-fluoro-phenyl)prop-2-enoyl]piperazin-1-yl]-N-phenyl-acetamide CAS Name: 2-[4-[(E)-3-(5-bromo-2-fluorophenyl)-1-oxoprop-2-enyl]-1-piperazinyl]-N-phenylacetamide IUPAC Name: 2-[4-[(E)-3-(5-bromo-2-fluorophenyl)prop-2-enoyl]piperazin-1-yl]-N-phenylacetamide Traditional Name: 2-[4-[(E)-3-(5-bromo-2-fluoro-phenyl)acryloyl]piperazino]-N-phenyl-acetamide Formula: C21H21BrFN3O2 MolecularWeight: 446.312743

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)NC2=CC=CC=C2)C(=O)C=CC3=C(C=CC(=C3)Br)F

Isomeric SMILES

C1CN(CCN1CC(=O)NC2=CC=CC=C2)C(=O)/C=C/C3=C(C=CC(=C3)Br)F

InChI

InChI=1S/C21H21BrFN3O2/c22-17-7-8-19(23)16(14-17)6-9-21(28)26-12-10-25(11-13-26)15-20(27)24-18-4-2-1-3-5-18/h1-9,14H,10-13,15H2,(H,24,27)/b9-6+