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

Systemtic Name: 4-[[4-(2-phenoxypropanoyl)piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(2-phenoxypropanoyl)piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-(1-oxo-2-phenoxypropyl)-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(2-phenoxypropanoyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(2-phenoxypropanoyl)piperazino]methyl]benzonitrile Formula: C21H23N3O2 MolecularWeight: 349.42622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)CC2=CC=C(C=C2)C#N)OC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)N1CCN(CC1)CC2=CC=C(C=C2)C#N)OC3=CC=CC=C3

InChI

InChI=1S/C21H23N3O2/c1-17(26-20-5-3-2-4-6-20)21(25)24-13-11-23(12-14-24)16-19-9-7-18(15-22)8-10-19/h2-10,17H,11-14,16H2,1H3