4-[[4-[3-(2-hydroxyphenyl)propanoyl]piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[3-(2-hydroxyphenyl)propanoyl]piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[3-(2-hydroxyphenyl)propanoyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[3-(2-hydroxyphenyl)-1-oxopropyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[3-(2-hydroxyphenyl)propanoyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[3-(2-hydroxyphenyl)propanoyl]piperazino]methyl]benzonitrile Formula: C21H23N3O2 MolecularWeight: 349.42622

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)CCC3=CC=CC=C3O

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)CCC3=CC=CC=C3O

InChI

InChI=1S/C21H23N3O2/c22-15-17-5-7-18(8-6-17)16-23-11-13-24(14-12-23)21(26)10-9-19-3-1-2-4-20(19)25/h1-8,25H,9-14,16H2