4-[(2S)-2-oxidanyl-3-(4-phenylpiperazin-1-yl)propoxy]benzenecarbonitrile

Systemtic Name: 4-[(2S)-2-oxidanyl-3-(4-phenylpiperazin-1-yl)propoxy]benzenecarbonitrile Openeye Name: 4-[(2S)-2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]benzonitrile CAS Name: 4-[(2S)-2-hydroxy-3-(4-phenyl-1-piperazinyl)propoxy]benzonitrile IUPAC Name: 4-[(2S)-2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]benzonitrile Traditional Name: 4-[(2S)-2-hydroxy-3-(4-phenylpiperazino)propoxy]benzonitrile Formula: C20H23N3O2 MolecularWeight: 337.41552

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(COC2=CC=C(C=C2)C#N)O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C[C@@H](COC2=CC=C(C=C2)C#N)O)C3=CC=CC=C3

InChI

InChI=1S/C20H23N3O2/c21-14-17-6-8-20(9-7-17)25-16-19(24)15-22-10-12-23(13-11-22)18-4-2-1-3-5-18/h1-9,19,24H,10-13,15-16H2/t19-/m0/s1