2-(4-chloranyl-2-methyl-phenoxy)-1-[4-(phenylcarbonyl)piperazin-1-yl]propan-1-one

Systemtic Name: 2-(4-chloranyl-2-methyl-phenoxy)-1-[4-(phenylcarbonyl)piperazin-1-yl]propan-1-one Openeye Name: 1-(4-benzoylpiperazin-1-yl)-2-(4-chloro-2-methyl-phenoxy)propan-1-one CAS Name: 1-(4-benzoyl-1-piperazinyl)-2-(4-chloro-2-methylphenoxy)-1-propanone IUPAC Name: 1-(4-benzoylpiperazin-1-yl)-2-(4-chloro-2-methylphenoxy)propan-1-one Traditional Name: 1-(4-benzoylpiperazino)-2-(4-chloro-2-methyl-phenoxy)propan-1-one Formula: C21H23ClN2O3 MolecularWeight: 386.87192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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