(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone

Systemtic Name: (6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone Openeye Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-[4-(o-tolyl)piperazin-1-yl]methanone CAS Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-[4-(2-methylphenyl)-1-piperazinyl]methanone IUPAC Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone Traditional Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-[4-(o-tolyl)piperazino]methanone Formula: C21H23ClN2O3 MolecularWeight: 386.87192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC4=C(C(=C3)Cl)OCCCO4

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC4=C(C(=C3)Cl)OCCCO4

InChI

InChI=1S/C21H23ClN2O3/c1-15-5-2-3-6-18(15)23-7-9-24(10-8-23)21(25)16-13-17(22)20-19(14-16)26-11-4-12-27-20/h2-3,5-6,13-14H,4,7-12H2,1H3