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

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)azepan-2-yl]ethanamide Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)azepan-2-yl]acetamide CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[1-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]-2-azepanyl]acetamide IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)azepan-2-yl]acetamide Traditional Name: 2-[1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)azepan-2-yl]-N-veratryl-acetamide Formula: C25H32N6O3 MolecularWeight: 464.55998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C=CN=C2)N3CCCCCC3CC(=O)NCC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1=CC(=NC(=N1)N2C=CN=C2)N3CCCCCC3CC(=O)NCC4=CC(=C(C=C4)OC)OC

InChI

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