2-(3-chloranylphenoxy)-2-methyl-1-[4-(phenylmethyl)piperazin-1-yl]butan-1-one

Systemtic Name: 2-(3-chloranylphenoxy)-2-methyl-1-[4-(phenylmethyl)piperazin-1-yl]butan-1-one Openeye Name: 1-(4-benzylpiperazin-1-yl)-2-(3-chlorophenoxy)-2-methyl-butan-1-one CAS Name: 2-(3-chlorophenoxy)-2-methyl-1-[4-(phenylmethyl)-1-piperazinyl]-1-butanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-2-(3-chlorophenoxy)-2-methylbutan-1-one Traditional Name: 1-(4-benzylpiperazino)-2-(3-chlorophenoxy)-2-methyl-butan-1-one Formula: C22H27ClN2O2 MolecularWeight: 386.91498

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C(=O)N1CCN(CC1)CC2=CC=CC=C2)OC3=CC(=CC=C3)Cl

Isomeric SMILES

CCC(C)(C(=O)N1CCN(CC1)CC2=CC=CC=C2)OC3=CC(=CC=C3)Cl

InChI

InChI=1S/C22H27ClN2O2/c1-3-22(2,27-20-11-7-10-19(23)16-20)21(26)25-14-12-24(13-15-25)17-18-8-5-4-6-9-18/h4-11,16H,3,12-15,17H2,1-2H3