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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-[(E)-3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoyl]piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-[(E)-3-(5-bromo-2-methoxy-phenyl)prop-2-enoyl]piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[(E)-3-(5-bromo-2-methoxyphenyl)-1-oxoprop-2-enyl]-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-[(E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoyl]piperidine-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-[(E)-3-(5-bromo-2-methoxy-phenyl)acryloyl]isonipecotamide Formula: C23H23BrN2O5 MolecularWeight: 487.34312

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C=CC(=O)N2CCC(CC2)C(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=C(C=C(C=C1)Br)/C=C/C(=O)N2CCC(CC2)C(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H23BrN2O5/c1-29-19-5-3-17(24)12-16(19)2-7-22(27)26-10-8-15(9-11-26)23(28)25-18-4-6-20-21(13-18)31-14-30-20/h2-7,12-13,15H,8-11,14H2,1H3,(H,25,28)/b7-2+