N-[(3,4-dimethoxyphenyl)methyl]-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidine-2-carboxamide

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidine-2-carboxamide Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidine-2-carboxamide CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-1-[2-(1-imidazolyl)-4-pyrimidinyl]-2-pyrrolidinecarboxamide IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidine-2-carboxamide Traditional Name: 1-(2-imidazol-1-ylpyrimidin-4-yl)-N-veratryl-pyrrolidine-2-carboxamide Formula: C21H24N6O3 MolecularWeight: 408.45366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)C2CCCN2C3=NC(=NC=C3)N4C=CN=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)C2CCCN2C3=NC(=NC=C3)N4C=CN=C4)OC

InChI

InChI=1S/C21H24N6O3/c1-29-17-6-5-15(12-18(17)30-2)13-24-20(28)16-4-3-10-27(16)19-7-8-23-21(25-19)26-11-9-22-14-26/h5-9,11-12,14,16H,3-4,10,13H2,1-2H3,(H,24,28)