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

Systemtic Name: (2S)-2-(3-methylphenoxy)-1-[4-(phenylmethyl)piperazin-1-yl]propan-1-one Openeye Name: (2S)-1-(4-benzylpiperazin-1-yl)-2-(3-methylphenoxy)propan-1-one CAS Name: (2S)-2-(3-methylphenoxy)-1-[4-(phenylmethyl)-1-piperazinyl]-1-propanone IUPAC Name: (2S)-1-(4-benzylpiperazin-1-yl)-2-(3-methylphenoxy)propan-1-one Traditional Name: (2S)-1-(4-benzylpiperazino)-2-(3-methylphenoxy)propan-1-one Formula: C21H26N2O2 MolecularWeight: 338.44334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC(=CC=C1)O[C@@H](C)C(=O)N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H26N2O2/c1-17-7-6-10-20(15-17)25-18(2)21(24)23-13-11-22(12-14-23)16-19-8-4-3-5-9-19/h3-10,15,18H,11-14,16H2,1-2H3/t18-/m0/s1