2-(4-chloranylphenoxy)-1-[4-(phenylmethyl)piperazin-1-yl]pentan-1-one

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27ClN2O2/c1-2-6-21(27-20-11-9-19(23)10-12-20)22(26)25-15-13-24(14-16-25)17-18-7-4-3-5-8-18/h3-5,7-12,21H,2,6,13-17H2,1H3