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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=CC=CC=C1NC(=O)C=CC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CCCNC(=O)C1=CC=CC=C1NC(=O)/C=C/C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C22H24N2O4/c1-2-12-23-22(26)17-6-3-4-7-18(17)24-21(25)11-9-16-8-10-19-20(15-16)28-14-5-13-27-19/h3-4,6-11,15H,2,5,12-14H2,1H3,(H,23,26)(H,24,25)/b11-9+