4-[[4-[2-(2-phenoxyethoxy)phenyl]carbonylpiperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[2-(2-phenoxyethoxy)phenyl]carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[2-(2-phenoxyethoxy)benzoyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[oxo-[2-(2-phenoxyethoxy)phenyl]methyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[2-(2-phenoxyethoxy)benzoyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[2-(2-phenoxyethoxy)benzoyl]piperazino]methyl]benzonitrile Formula: C27H27N3O3 MolecularWeight: 441.52158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)C3=CC=CC=C3OCCOC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)C3=CC=CC=C3OCCOC4=CC=CC=C4

InChI

InChI=1S/C27H27N3O3/c28-20-22-10-12-23(13-11-22)21-29-14-16-30(17-15-29)27(31)25-8-4-5-9-26(25)33-19-18-32-24-6-2-1-3-7-24/h1-13H,14-19,21H2