1-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2-pyridin-2-ylethyl)piperazine-2,5-dione

Systemtic Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2-pyridin-2-ylethyl)piperazine-2,5-dione Openeye Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-4-[2-(2-pyridyl)ethyl]piperazine-2,5-dione CAS Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-4-[2-(2-pyridinyl)ethyl]piperazine-2,5-dione IUPAC Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2-pyridin-2-ylethyl)piperazine-2,5-dione Traditional Name: 1-homoveratryl-4-[2-(2-pyridyl)ethyl]piperazine-2,5-quinone Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2CC(=O)N(CC2=O)CCC3=CC=CC=N3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2CC(=O)N(CC2=O)CCC3=CC=CC=N3)OC

InChI

InChI=1S/C21H25N3O4/c1-27-18-7-6-16(13-19(18)28-2)8-11-23-14-21(26)24(15-20(23)25)12-9-17-5-3-4-10-22-17/h3-7,10,13H,8-9,11-12,14-15H2,1-2H3