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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C2CCN(C2)C3=NC(=NC=C3)N4C=CN=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2CCN(C2)C3=NC(=NC=C3)N4C=CN=C4)OC

InChI

InChI=1S/C22H26N6O3/c1-30-18-4-3-16(13-19(18)31-2)5-8-24-21(29)17-7-11-27(14-17)20-6-9-25-22(26-20)28-12-10-23-15-28/h3-4,6,9-10,12-13,15,17H,5,7-8,11,14H2,1-2H3,(H,24,29)