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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidine-2-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidine-2-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[2-(1-imidazolyl)-4-pyrimidinyl]-2-pyrrolidinecarboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidine-2-carboxamide Traditional Name: N-homoveratryl-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidine-2-carboxamide Formula: C22H26N6O3 MolecularWeight: 422.48024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N6O3/c1-30-18-6-5-16(14-19(18)31-2)7-9-24-21(29)17-4-3-12-28(17)20-8-10-25-22(26-20)27-13-11-23-15-27/h5-6,8,10-11,13-15,17H,3-4,7,9,12H2,1-2H3,(H,24,29)