4-[[4-[3-(3,4,5-trimethoxyphenyl)propanoyl]piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[3-(3,4,5-trimethoxyphenyl)propanoyl]piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[3-(3,4,5-trimethoxyphenyl)propanoyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[1-oxo-3-(3,4,5-trimethoxyphenyl)propyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[3-(3,4,5-trimethoxyphenyl)propanoyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[3-(3,4,5-trimethoxyphenyl)propanoyl]piperazino]methyl]benzonitrile Formula: C24H29N3O4 MolecularWeight: 423.50476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CCC(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CCC(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C24H29N3O4/c1-29-21-14-20(15-22(30-2)24(21)31-3)8-9-23(28)27-12-10-26(11-13-27)17-19-6-4-18(16-25)5-7-19/h4-7,14-15H,8-13,17H2,1-3H3