4-[(2S)-3-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxidanyl-propoxy]benzenecarbonitrile

Systemtic Name: 4-[(2S)-3-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxidanyl-propoxy]benzenecarbonitrile Openeye Name: 4-[(2S)-2-hydroxy-3-[4-(m-tolylmethyl)piperazin-1-yl]propoxy]benzonitrile CAS Name: 4-[(2S)-2-hydroxy-3-[4-[(3-methylphenyl)methyl]-1-piperazinyl]propoxy]benzonitrile IUPAC Name: 4-[(2S)-2-hydroxy-3-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propoxy]benzonitrile Traditional Name: 4-[(2S)-2-hydroxy-3-[4-(3-methylbenzyl)piperazino]propoxy]benzonitrile Formula: C22H27N3O2 MolecularWeight: 365.46868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCN(CC2)CC(COC3=CC=C(C=C3)C#N)O

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCN(CC2)C[C@@H](COC3=CC=C(C=C3)C#N)O

InChI

InChI=1S/C22H27N3O2/c1-18-3-2-4-20(13-18)15-24-9-11-25(12-10-24)16-21(26)17-27-22-7-5-19(14-23)6-8-22/h2-8,13,21,26H,9-12,15-17H2,1H3/t21-/m0/s1