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

Systemtic Name: 2-(3-methylphenoxy)-1-[4-(phenylmethyl)piperazin-1-yl]butan-1-one Openeye Name: 1-(4-benzylpiperazin-1-yl)-2-(3-methylphenoxy)butan-1-one CAS Name: 2-(3-methylphenoxy)-1-[4-(phenylmethyl)-1-piperazinyl]-1-butanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-2-(3-methylphenoxy)butan-1-one Traditional Name: 1-(4-benzylpiperazino)-2-(3-methylphenoxy)butan-1-one Formula: C22H28N2O2 MolecularWeight: 352.46992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O2/c1-3-21(26-20-11-7-8-18(2)16-20)22(25)24-14-12-23(13-15-24)17-19-9-5-4-6-10-19/h4-11,16,21H,3,12-15,17H2,1-2H3