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

Systemtic Name: ethyl 4-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)carbonyl]piperazine-1-carboxylate Openeye Name: ethyl 4-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carbonyl)piperazine-1-carboxylate CAS Name: 4-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carbonyl)piperazine-1-carboxylate Traditional Name: 4-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-carbonyl)piperazine-1-carboxylic acid ethyl ester Formula: C17H21ClN2O5 MolecularWeight: 368.81204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21ClN2O5/c1-2-23-17(22)20-6-4-19(5-7-20)16(21)12-10-13(18)15-14(11-12)24-8-3-9-25-15/h10-11H,2-9H2,1H3