1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxidanylidene-N-[3-(2-pyridin-2-ylethynyl)phenyl]pyrrolidine-3-carboxamide

Systemtic Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxidanylidene-N-[3-(2-pyridin-2-ylethynyl)phenyl]pyrrolidine-3-carboxamide Openeye Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-N-[3-[2-(2-pyridyl)ethynyl]phenyl]pyrrolidine-3-carboxamide CAS Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-N-[3-[2-(2-pyridinyl)ethynyl]phenyl]-3-pyrrolidinecarboxamide IUPAC Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-N-[3-(2-pyridin-2-ylethynyl)phenyl]pyrrolidine-3-carboxamide Traditional Name: 1-homoveratryl-5-keto-N-[3-[2-(2-pyridyl)ethynyl]phenyl]pyrrolidine-3-carboxamide Formula: C28H27N3O4 MolecularWeight: 469.53168

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2CC(CC2=O)C(=O)NC3=CC=CC(=C3)C#CC4=CC=CC=N4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2CC(CC2=O)C(=O)NC3=CC=CC(=C3)C#CC4=CC=CC=N4)OC

InChI

InChI=1S/C28H27N3O4/c1-34-25-12-10-21(17-26(25)35-2)13-15-31-19-22(18-27(31)32)28(33)30-24-8-5-6-20(16-24)9-11-23-7-3-4-14-29-23/h3-8,10,12,14,16-17,22H,13,15,18-19H2,1-2H3,(H,30,33)