1-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-2-(3-ethanoylphenoxy)ethanone

Systemtic Name: 1-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-2-(3-ethanoylphenoxy)ethanone Openeye Name: 2-(3-acetylphenoxy)-1-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]ethanone CAS Name: 2-(3-acetylphenoxy)-1-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]ethanone IUPAC Name: 2-(3-acetylphenoxy)-1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethanone Traditional Name: 2-(3-acetylphenoxy)-1-[4-(5-chloro-2-methyl-phenyl)piperazino]ethanone Formula: C21H23ClN2O3 MolecularWeight: 386.87192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)COC3=CC=CC(=C3)C(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)COC3=CC=CC(=C3)C(=O)C

InChI

InChI=1S/C21H23ClN2O3/c1-15-6-7-18(22)13-20(15)23-8-10-24(11-9-23)21(26)14-27-19-5-3-4-17(12-19)16(2)25/h3-7,12-13H,8-11,14H2,1-2H3