N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidin-2-yl]ethanamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidin-2-yl]ethanamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidin-2-yl]acetamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[1-[2-(1-imidazolyl)-4-pyrimidinyl]-2-pyrrolidinyl]acetamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidin-2-yl]acetamide Traditional Name: N-homoveratryl-2-[1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidin-2-yl]acetamide Formula: C23H28N6O3 MolecularWeight: 436.50682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)CC2CCCN2C3=NC(=NC=C3)N4C=CN=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)CC2CCCN2C3=NC(=NC=C3)N4C=CN=C4)OC

InChI

InChI=1S/C23H28N6O3/c1-31-19-6-5-17(14-20(19)32-2)7-9-25-22(30)15-18-4-3-12-29(18)21-8-10-26-23(27-21)28-13-11-24-16-28/h5-6,8,10-11,13-14,16,18H,3-4,7,9,12,15H2,1-2H3,(H,25,30)