1-[(E)-3-(5-bromanyl-2-fluoranyl-phenyl)prop-2-enoyl]-N-(phenylmethyl)piperidine-4-carboxamide

Systemtic Name: 1-[(E)-3-(5-bromanyl-2-fluoranyl-phenyl)prop-2-enoyl]-N-(phenylmethyl)piperidine-4-carboxamide Openeye Name: N-benzyl-1-[(E)-3-(5-bromo-2-fluoro-phenyl)prop-2-enoyl]piperidine-4-carboxamide CAS Name: 1-[(E)-3-(5-bromo-2-fluorophenyl)-1-oxoprop-2-enyl]-N-(phenylmethyl)-4-piperidinecarboxamide IUPAC Name: N-benzyl-1-[(E)-3-(5-bromo-2-fluorophenyl)prop-2-enoyl]piperidine-4-carboxamide Traditional Name: N-benzyl-1-[(E)-3-(5-bromo-2-fluoro-phenyl)acryloyl]isonipecotamide Formula: C22H22BrFN2O2 MolecularWeight: 445.324683

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCC2=CC=CC=C2)C(=O)C=CC3=C(C=CC(=C3)Br)F

Isomeric SMILES

C1CN(CCC1C(=O)NCC2=CC=CC=C2)C(=O)/C=C/C3=C(C=CC(=C3)Br)F

InChI

InChI=1S/C22H22BrFN2O2/c23-19-7-8-20(24)18(14-19)6-9-21(27)26-12-10-17(11-13-26)22(28)25-15-16-4-2-1-3-5-16/h1-9,14,17H,10-13,15H2,(H,25,28)/b9-6+