2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanamide

Systemtic Name: 2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanamide Openeye Name: 2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide CAS Name: 2-[4-(2-chlorophenyl)-1-piperazinyl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide IUPAC Name: 2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide Traditional Name: 2-[4-(2-chlorophenyl)piperazino]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide Formula: C21H24ClN3O3 MolecularWeight: 401.88656

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)CN3CCN(CC3)C4=CC=CC=C4Cl)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)CN3CCN(CC3)C4=CC=CC=C4Cl)OC1

InChI

InChI=1S/C21H24ClN3O3/c22-17-4-1-2-5-18(17)25-10-8-24(9-11-25)15-21(26)23-16-6-7-19-20(14-16)28-13-3-12-27-19/h1-2,4-7,14H,3,8-13,15H2,(H,23,26)