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

Systemtic Name: 2-(3-chloranylphenoxy)-1-[4-(phenylmethyl)piperazin-1-yl]pentan-1-one Openeye Name: 1-(4-benzylpiperazin-1-yl)-2-(3-chlorophenoxy)pentan-1-one CAS Name: 2-(3-chlorophenoxy)-1-[4-(phenylmethyl)-1-piperazinyl]-1-pentanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-2-(3-chlorophenoxy)pentan-1-one Traditional Name: 1-(4-benzylpiperazino)-2-(3-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(=CC=C3)Cl

Isomeric SMILES

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

InChI

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