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

Systemtic Name: ethyl 4-[2-(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetyl]piperazine-1-carboxylate CAS Name: 4-[2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C18H23ClN2O5 MolecularWeight: 382.83862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23ClN2O5/c1-2-24-18(23)21-6-4-20(5-7-21)16(22)12-13-10-14(19)17-15(11-13)25-8-3-9-26-17/h10-11H,2-9,12H2,1H3