N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(phenylcarbonyl)piperazine-1-carboxamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(phenylcarbonyl)piperazine-1-carboxamide Openeye Name: 4-benzoyl-N-[2-(3,4-dimethoxyphenyl)ethyl]piperazine-1-carboxamide CAS Name: 4-benzoyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-piperazinecarboxamide IUPAC Name: 4-benzoyl-N-[2-(3,4-dimethoxyphenyl)ethyl]piperazine-1-carboxamide Traditional Name: 4-benzoyl-N-homoveratryl-piperazine-1-carboxamide Formula: C22H27N3O4 MolecularWeight: 397.46748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)N2CCN(CC2)C(=O)C3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)N2CCN(CC2)C(=O)C3=CC=CC=C3)OC

InChI

InChI=1S/C22H27N3O4/c1-28-19-9-8-17(16-20(19)29-2)10-11-23-22(27)25-14-12-24(13-15-25)21(26)18-6-4-3-5-7-18/h3-9,16H,10-15H2,1-2H3,(H,23,27)