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

Systemtic Name: 4-[[4-(3-phenoxyphenyl)carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(3-phenoxybenzoyl)piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[oxo-(3-phenoxyphenyl)methyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(3-phenoxybenzoyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(3-phenoxybenzoyl)piperazino]methyl]benzonitrile Formula: C25H23N3O2 MolecularWeight: 397.46902

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=C3)OC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)C3=CC(=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C25H23N3O2/c26-18-20-9-11-21(12-10-20)19-27-13-15-28(16-14-27)25(29)22-5-4-8-24(17-22)30-23-6-2-1-3-7-23/h1-12,17H,13-16,19H2