3-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl]-N-phenyl-piperazine-1-carboxamide

Systemtic Name: 3-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl]-N-phenyl-piperazine-1-carboxamide Openeye Name: 3-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxo-ethyl]-N-phenyl-piperazine-1-carboxamide CAS Name: 3-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]-N-phenyl-1-piperazinecarboxamide IUPAC Name: 3-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]-N-phenylpiperazine-1-carboxamide Traditional Name: 3-[2-keto-2-(veratrylamino)ethyl]-N-phenyl-piperazine-1-carboxamide Formula: C22H28N4O4 MolecularWeight: 412.48212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)CC2CN(CCN2)C(=O)NC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)CC2CN(CCN2)C(=O)NC3=CC=CC=C3)OC

InChI

InChI=1S/C22H28N4O4/c1-29-19-9-8-16(12-20(19)30-2)14-24-21(27)13-18-15-26(11-10-23-18)22(28)25-17-6-4-3-5-7-17/h3-9,12,18,23H,10-11,13-15H2,1-2H3,(H,24,27)(H,25,28)