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

Systemtic Name: tert-butyl 4-[2-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)carbonyl-methyl-amino]ethanoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carbonyl)-methyl-amino]acetyl]piperazine-1-carboxylate CAS Name: 4-[2-[[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-oxomethyl]-methylamino]-1-oxoethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carbonyl)-methylamino]acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-carbonyl)-methyl-amino]acetyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C22H30ClN3O6 MolecularWeight: 467.9431

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30ClN3O6/c1-22(2,3)32-21(29)26-8-6-25(7-9-26)18(27)14-24(4)20(28)15-12-16(23)19-17(13-15)30-10-5-11-31-19/h12-13H,5-11,14H2,1-4H3