2-[1-(2-imidazol-1-ylpyrimidin-4-yl)azepan-2-yl]-N-[(4-methoxyphenyl)methyl]ethanamide

Systemtic Name: 2-[1-(2-imidazol-1-ylpyrimidin-4-yl)azepan-2-yl]-N-[(4-methoxyphenyl)methyl]ethanamide Openeye Name: 2-[1-(2-imidazol-1-ylpyrimidin-4-yl)azepan-2-yl]-N-[(4-methoxyphenyl)methyl]acetamide CAS Name: 2-[1-[2-(1-imidazolyl)-4-pyrimidinyl]-2-azepanyl]-N-[(4-methoxyphenyl)methyl]acetamide IUPAC Name: 2-[1-(2-imidazol-1-ylpyrimidin-4-yl)azepan-2-yl]-N-[(4-methoxyphenyl)methyl]acetamide Traditional Name: 2-[1-(2-imidazol-1-ylpyrimidin-4-yl)azepan-2-yl]-N-p-anisyl-acetamide Formula: C23H28N6O2 MolecularWeight: 420.50742

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=O)CC2CCCCCN2C3=NC(=NC=C3)N4C=CN=C4

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=O)CC2CCCCCN2C3=NC(=NC=C3)N4C=CN=C4

InChI

InChI=1S/C23H28N6O2/c1-31-20-8-6-18(7-9-20)16-26-22(30)15-19-5-3-2-4-13-29(19)21-10-11-25-23(27-21)28-14-12-24-17-28/h6-12,14,17,19H,2-5,13,15-16H2,1H3,(H,26,30)