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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-[(E)-3-(2-bromanyl-4-methyl-phenyl)prop-2-enoyl]piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-[(E)-3-(2-bromo-4-methyl-phenyl)prop-2-enoyl]piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[(E)-3-(2-bromo-4-methylphenyl)-1-oxoprop-2-enyl]-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-[(E)-3-(2-bromo-4-methylphenyl)prop-2-enoyl]piperidine-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-[(E)-3-(2-bromo-4-methyl-phenyl)acryloyl]isonipecotamide Formula: C23H23BrN2O4 MolecularWeight: 471.34372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C=CC(=O)N2CCC(CC2)C(=O)NC3=CC4=C(C=C3)OCO4)Br

Isomeric SMILES

CC1=CC(=C(C=C1)/C=C/C(=O)N2CCC(CC2)C(=O)NC3=CC4=C(C=C3)OCO4)Br

InChI

InChI=1S/C23H23BrN2O4/c1-15-2-3-16(19(24)12-15)4-7-22(27)26-10-8-17(9-11-26)23(28)25-18-5-6-20-21(13-18)30-14-29-20/h2-7,12-13,17H,8-11,14H2,1H3,(H,25,28)/b7-4+