4-(4-chloranyl-2-methyl-phenoxy)-1-[4-(phenylmethyl)piperazin-1-yl]butan-1-one

Systemtic Name: 4-(4-chloranyl-2-methyl-phenoxy)-1-[4-(phenylmethyl)piperazin-1-yl]butan-1-one Openeye Name: 1-(4-benzylpiperazin-1-yl)-4-(4-chloro-2-methyl-phenoxy)butan-1-one CAS Name: 4-(4-chloro-2-methylphenoxy)-1-[4-(phenylmethyl)-1-piperazinyl]-1-butanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-4-(4-chloro-2-methylphenoxy)butan-1-one Traditional Name: 1-(4-benzylpiperazino)-4-(4-chloro-2-methyl-phenoxy)butan-1-one Formula: C22H27ClN2O2 MolecularWeight: 386.91498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OCCCC(=O)N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OCCCC(=O)N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H27ClN2O2/c1-18-16-20(23)9-10-21(18)27-15-5-8-22(26)25-13-11-24(12-14-25)17-19-6-3-2-4-7-19/h2-4,6-7,9-10,16H,5,8,11-15,17H2,1H3