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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-imidazol-1-ylpyrimidin-4-yl)azepane-2-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-imidazol-1-ylpyrimidin-4-yl)azepane-2-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[2-(1-imidazolyl)-4-pyrimidinyl]-2-azepanecarboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-imidazol-1-ylpyrimidin-4-yl)azepane-2-carboxamide Traditional Name: N-homoveratryl-1-(2-imidazol-1-ylpyrimidin-4-yl)azepane-2-carboxamide Formula: C24H30N6O3 MolecularWeight: 450.5334

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C2CCCCCN2C3=NC(=NC=C3)N4C=CN=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2CCCCCN2C3=NC(=NC=C3)N4C=CN=C4)OC

InChI

InChI=1S/C24H30N6O3/c1-32-20-8-7-18(16-21(20)33-2)9-11-26-23(31)19-6-4-3-5-14-30(19)22-10-12-27-24(28-22)29-15-13-25-17-29/h7-8,10,12-13,15-17,19H,3-6,9,11,14H2,1-2H3,(H,26,31)