2-(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-[2-(4-methylpiperazin-1-yl)phenyl]ethanamide

Systemtic Name: 2-(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-[2-(4-methylpiperazin-1-yl)phenyl]ethanamide Openeye Name: 2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide CAS Name: 2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-[2-(4-methyl-1-piperazinyl)phenyl]acetamide IUPAC Name: 2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide Traditional Name: 2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-[2-(4-methylpiperazino)phenyl]acetamide Formula: C22H26ClN3O3 MolecularWeight: 415.91314

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC=CC=C2NC(=O)CC3=CC4=C(C(=C3)Cl)OCCCO4

Isomeric SMILES

CN1CCN(CC1)C2=CC=CC=C2NC(=O)CC3=CC4=C(C(=C3)Cl)OCCCO4

InChI

InChI=1S/C22H26ClN3O3/c1-25-7-9-26(10-8-25)19-6-3-2-5-18(19)24-21(27)15-16-13-17(23)22-20(14-16)28-11-4-12-29-22/h2-3,5-6,13-14H,4,7-12,15H2,1H3,(H,24,27)