1-(2H-1,5-benzodioxepin-8-yl)-2-[4-(4-methylphenyl)piperazin-1-yl]ethanone

Systemtic Name: 1-(2H-1,5-benzodioxepin-8-yl)-2-[4-(4-methylphenyl)piperazin-1-yl]ethanone Openeye Name: 1-(2H-1,5-benzodioxepin-8-yl)-2-[4-(p-tolyl)piperazin-1-yl]ethanone CAS Name: 1-(2H-1,5-benzodioxepin-8-yl)-2-[4-(4-methylphenyl)-1-piperazinyl]ethanone IUPAC Name: 1-(2H-1,5-benzodioxepin-8-yl)-2-[4-(4-methylphenyl)piperazin-1-yl]ethanone Traditional Name: 1-(2H-1,5-benzodioxepin-8-yl)-2-[4-(p-tolyl)piperazino]ethanone Formula: C22H24N2O3 MolecularWeight: 364.43756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2CCN(CC2)CC(=O)C3=CC4=C(C=C3)OC=CCO4

Isomeric SMILES

CC1=CC=C(C=C1)N2CCN(CC2)CC(=O)C3=CC4=C(C=C3)OC=CCO4

InChI

InChI=1S/C22H24N2O3/c1-17-3-6-19(7-4-17)24-11-9-23(10-12-24)16-20(25)18-5-8-21-22(15-18)27-14-2-13-26-21/h2-8,13,15H,9-12,14,16H2,1H3