N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(6-ethyl-2-imidazol-1-yl-pyrimidin-4-yl)azepane-2-carboxamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(6-ethyl-2-imidazol-1-yl-pyrimidin-4-yl)azepane-2-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(6-ethyl-2-imidazol-1-yl-pyrimidin-4-yl)azepane-2-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[6-ethyl-2-(1-imidazolyl)-4-pyrimidinyl]-2-azepanecarboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(6-ethyl-2-imidazol-1-ylpyrimidin-4-yl)azepane-2-carboxamide Traditional Name: 1-(6-ethyl-2-imidazol-1-yl-pyrimidin-4-yl)-N-homoveratryl-azepane-2-carboxamide Formula: C26H34N6O3 MolecularWeight: 478.58656

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)N2C=CN=C2)N3CCCCCC3C(=O)NCCC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CCC1=CC(=NC(=N1)N2C=CN=C2)N3CCCCCC3C(=O)NCCC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C26H34N6O3/c1-4-20-17-24(30-26(29-20)31-15-13-27-18-31)32-14-7-5-6-8-21(32)25(33)28-12-11-19-9-10-22(34-2)23(16-19)35-3/h9-10,13,15-18,21H,4-8,11-12,14H2,1-3H3,(H,28,33)