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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-[(E)-3-(5-bromanyl-2-fluoranyl-phenyl)prop-2-enoyl]piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-[(E)-3-(5-bromo-2-fluoro-phenyl)prop-2-enoyl]piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[(E)-3-(5-bromo-2-fluorophenyl)-1-oxoprop-2-enyl]-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-[(E)-3-(5-bromo-2-fluorophenyl)prop-2-enoyl]piperidine-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-[(E)-3-(5-bromo-2-fluoro-phenyl)acryloyl]isonipecotamide Formula: C22H20BrFN2O4 MolecularWeight: 475.307603

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCO3)C(=O)C=CC4=C(C=CC(=C4)Br)F

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCO3)C(=O)/C=C/C4=C(C=CC(=C4)Br)F

InChI

InChI=1S/C22H20BrFN2O4/c23-16-2-4-18(24)15(11-16)1-6-21(27)26-9-7-14(8-10-26)22(28)25-17-3-5-19-20(12-17)30-13-29-19/h1-6,11-12,14H,7-10,13H2,(H,25,28)/b6-1+