N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)azepan-2-yl]ethanamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)azepan-2-yl]ethanamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)azepan-2-yl]acetamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[1-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]-2-azepanyl]acetamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)azepan-2-yl]acetamide Traditional Name: N-homoveratryl-2-[1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)azepan-2-yl]acetamide Formula: C26H34N6O3 MolecularWeight: 478.58656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C=CN=C2)N3CCCCCC3CC(=O)NCCC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1=CC(=NC(=N1)N2C=CN=C2)N3CCCCCC3CC(=O)NCCC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C26H34N6O3/c1-19-15-24(30-26(29-19)31-14-12-27-18-31)32-13-6-4-5-7-21(32)17-25(33)28-11-10-20-8-9-22(34-2)23(16-20)35-3/h8-9,12,14-16,18,21H,4-7,10-11,13,17H2,1-3H3,(H,28,33)