4-[[4-(3-phenylmethoxyphenyl)carbonylpiperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(3-phenylmethoxyphenyl)carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(3-benzyloxybenzoyl)piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[oxo-(3-phenylmethoxyphenyl)methyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(3-phenylmethoxybenzoyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(3-benzoxybenzoyl)piperazino]methyl]benzonitrile Formula: C26H25N3O2 MolecularWeight: 411.4956

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)C3=CC(=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)C3=CC(=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C26H25N3O2/c27-18-21-9-11-22(12-10-21)19-28-13-15-29(16-14-28)26(30)24-7-4-8-25(17-24)31-20-23-5-2-1-3-6-23/h1-12,17H,13-16,19-20H2