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

Systemtic Name: 3-[[4-(2-hydroxyphenyl)piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[4-(2-hydroxyphenyl)piperazin-1-yl]methyl]benzonitrile CAS Name: 3-[[4-(2-hydroxyphenyl)-1-piperazinyl]methyl]benzonitrile IUPAC Name: 3-[[4-(2-hydroxyphenyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 3-[[4-(2-hydroxyphenyl)piperazino]methyl]benzonitrile Formula: C18H19N3O MolecularWeight: 293.36296

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC(=C2)C#N)C3=CC=CC=C3O

Isomeric SMILES

C1CN(CCN1CC2=CC=CC(=C2)C#N)C3=CC=CC=C3O

InChI

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