4-[(E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoyl]piperazin-2-one

Systemtic Name: 4-[(E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoyl]piperazin-2-one Openeye Name: 4-[(E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoyl]piperazin-2-one CAS Name: 4-[(E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-oxoprop-2-enyl]-2-piperazinone IUPAC Name: 4-[(E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoyl]piperazin-2-one Traditional Name: 4-[(E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acryloyl]piperazin-2-one Formula: C16H18N2O4 MolecularWeight: 302.32512

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C=CC(=O)N3CCNC(=O)C3)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)/C=C/C(=O)N3CCNC(=O)C3)OC1

InChI

InChI=1S/C16H18N2O4/c19-15-11-18(7-6-17-15)16(20)5-3-12-2-4-13-14(10-12)22-9-1-8-21-13/h2-5,10H,1,6-9,11H2,(H,17,19)/b5-3+