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

Systemtic Name: 4-[[4-(3-hydroxyphenyl)piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(3-hydroxyphenyl)piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-(3-hydroxyphenyl)-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(3-hydroxyphenyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(3-hydroxyphenyl)piperazino]methyl]benzonitrile Formula: C18H19N3O MolecularWeight: 293.36296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C#N)C3=CC(=CC=C3)O

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C#N)C3=CC(=CC=C3)O

InChI

InChI=1S/C18H19N3O/c19-13-15-4-6-16(7-5-15)14-20-8-10-21(11-9-20)17-2-1-3-18(22)12-17/h1-7,12,22H,8-11,14H2