ethyl 4-[(E)-3-(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)prop-2-enoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(E)-3-(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)prop-2-enoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(E)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)prop-2-enoyl]piperazine-1-carboxylate CAS Name: 4-[(E)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1-oxoprop-2-enyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(E)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)prop-2-enoyl]piperazine-1-carboxylate Traditional Name: 4-[(E)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acryloyl]piperazine-1-carboxylic acid ethyl ester Formula: C19H23ClN2O5 MolecularWeight: 394.84932

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C=CC2=CC3=C(C(=C2)Cl)OCCCO3

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)/C=C/C2=CC3=C(C(=C2)Cl)OCCCO3

InChI

InChI=1S/C19H23ClN2O5/c1-2-25-19(24)22-8-6-21(7-9-22)17(23)5-4-14-12-15(20)18-16(13-14)26-10-3-11-27-18/h4-5,12-13H,2-3,6-11H2,1H3/b5-4+