4-[[[(E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoyl]-methyl-amino]methyl]-N-methyl-benzamide

Systemtic Name: 4-[[[(E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoyl]-methyl-amino]methyl]-N-methyl-benzamide Openeye Name: 4-[[[(E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoyl]-methyl-amino]methyl]-N-methyl-benzamide CAS Name: 4-[[[(E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-oxoprop-2-enyl]-methylamino]methyl]-N-methylbenzamide IUPAC Name: 4-[[[(E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoyl]-methylamino]methyl]-N-methylbenzamide Traditional Name: 4-[[[(E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acryloyl]-methyl-amino]methyl]-N-methyl-benzamide Formula: C22H24N2O4 MolecularWeight: 380.43696

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC=C(C=C1)CN(C)C(=O)C=CC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CNC(=O)C1=CC=C(C=C1)CN(C)C(=O)/C=C/C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C22H24N2O4/c1-23-22(26)18-8-4-17(5-9-18)15-24(2)21(25)11-7-16-6-10-19-20(14-16)28-13-3-12-27-19/h4-11,14H,3,12-13,15H2,1-2H3,(H,23,26)/b11-7+