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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2-imidazol-1-ylpyrimidin-4-yl)morpholine-2-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2-imidazol-1-ylpyrimidin-4-yl)morpholine-2-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[2-(1-imidazolyl)-4-pyrimidinyl]-2-morpholinecarboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2-imidazol-1-ylpyrimidin-4-yl)morpholine-2-carboxamide Traditional Name: N-homoveratryl-4-(2-imidazol-1-ylpyrimidin-4-yl)morpholine-2-carboxamide Formula: C22H26N6O4 MolecularWeight: 438.47964

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C2CN(CCO2)C3=NC(=NC=C3)N4C=CN=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2CN(CCO2)C3=NC(=NC=C3)N4C=CN=C4)OC

InChI

InChI=1S/C22H26N6O4/c1-30-17-4-3-16(13-18(17)31-2)5-7-24-21(29)19-14-27(11-12-32-19)20-6-8-25-22(26-20)28-10-9-23-15-28/h3-4,6,8-10,13,15,19H,5,7,11-12,14H2,1-2H3,(H,24,29)