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

Systemtic Name: tert-butyl 4-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)carbonyl]piperazine-1-carboxylate Openeye Name: tert-butyl 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 tert-butyl ester IUPAC Name: tert-butyl 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 tert-butyl ester Formula: C19H25ClN2O5 MolecularWeight: 396.8652

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=CC3=C(C(=C2)Cl)OCCCO3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=CC3=C(C(=C2)Cl)OCCCO3

InChI

InChI=1S/C19H25ClN2O5/c1-19(2,3)27-18(24)22-7-5-21(6-8-22)17(23)13-11-14(20)16-15(12-13)25-9-4-10-26-16/h11-12H,4-10H2,1-3H3