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

Systemtic Name: (2S)-2-phenoxy-1-[4-(phenylmethyl)piperazin-1-yl]butan-1-one Openeye Name: (2S)-1-(4-benzylpiperazin-1-yl)-2-phenoxy-butan-1-one CAS Name: (2S)-2-phenoxy-1-[4-(phenylmethyl)-1-piperazinyl]-1-butanone IUPAC Name: (2S)-1-(4-benzylpiperazin-1-yl)-2-phenoxybutan-1-one Traditional Name: (2S)-1-(4-benzylpiperazino)-2-phenoxy-butan-1-one Formula: C21H26N2O2 MolecularWeight: 338.44334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[C@@H](C(=O)N1CCN(CC1)CC2=CC=CC=C2)OC3=CC=CC=C3

InChI

InChI=1S/C21H26N2O2/c1-2-20(25-19-11-7-4-8-12-19)21(24)23-15-13-22(14-16-23)17-18-9-5-3-6-10-18/h3-12,20H,2,13-17H2,1H3/t20-/m0/s1