2-[4-[(2R)-3-[(2S)-4-methyl-2-phenyl-piperazin-1-yl]-2-oxidanyl-propoxy]phenyl]ethanenitrile

Systemtic Name: 2-[4-[(2R)-3-[(2S)-4-methyl-2-phenyl-piperazin-1-yl]-2-oxidanyl-propoxy]phenyl]ethanenitrile Openeye Name: 2-[4-[(2R)-2-hydroxy-3-[(2S)-4-methyl-2-phenyl-piperazin-1-yl]propoxy]phenyl]acetonitrile CAS Name: 2-[4-[(2R)-2-hydroxy-3-[(2S)-4-methyl-2-phenyl-1-piperazinyl]propoxy]phenyl]acetonitrile IUPAC Name: 2-[4-[(2R)-2-hydroxy-3-[(2S)-4-methyl-2-phenylpiperazin-1-yl]propoxy]phenyl]acetonitrile Traditional Name: 2-[4-[(2R)-2-hydroxy-3-[(2S)-4-methyl-2-phenyl-piperazino]propoxy]phenyl]acetonitrile Formula: C22H27N3O2 MolecularWeight: 365.46868

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(C(C1)C2=CC=CC=C2)CC(COC3=CC=C(C=C3)CC#N)O

Isomeric SMILES

CN1CCN([C@H](C1)C2=CC=CC=C2)C[C@H](COC3=CC=C(C=C3)CC#N)O

InChI

InChI=1S/C22H27N3O2/c1-24-13-14-25(22(16-24)19-5-3-2-4-6-19)15-20(26)17-27-21-9-7-18(8-10-21)11-12-23/h2-10,20,22,26H,11,13-17H2,1H3/t20-,22-/m1/s1