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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)azepane-2-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)azepane-2-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]-2-azepanecarboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)azepane-2-carboxamide Traditional Name: N-homoveratryl-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)azepane-2-carboxamide Formula: C25H32N6O3 MolecularWeight: 464.55998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C=CN=C2)N3CCCCCC3C(=O)NCCC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1=CC(=NC(=N1)N2C=CN=C2)N3CCCCCC3C(=O)NCCC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C25H32N6O3/c1-18-15-23(29-25(28-18)30-14-12-26-17-30)31-13-6-4-5-7-20(31)24(32)27-11-10-19-8-9-21(33-2)22(16-19)34-3/h8-9,12,14-17,20H,4-7,10-11,13H2,1-3H3,(H,27,32)