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

Systemtic Name: N-tert-butyl-2-[4-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)carbonyl]piperazin-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carbonyl)piperazin-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-oxomethyl]-1-piperazinyl]acetamide IUPAC Name: N-tert-butyl-2-[4-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carbonyl)piperazin-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-carbonyl)piperazino]acetamide Formula: C20H28ClN3O4 MolecularWeight: 409.90702

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CN1CCN(CC1)C(=O)C2=CC3=C(C(=C2)Cl)OCCCO3

Isomeric SMILES

CC(C)(C)NC(=O)CN1CCN(CC1)C(=O)C2=CC3=C(C(=C2)Cl)OCCCO3

InChI

InChI=1S/C20H28ClN3O4/c1-20(2,3)22-17(25)13-23-5-7-24(8-6-23)19(26)14-11-15(21)18-16(12-14)27-9-4-10-28-18/h11-12H,4-10,13H2,1-3H3,(H,22,25)