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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[1-(2-imidazol-1-yl-6-propan-2-yl-pyrimidin-4-yl)azepan-2-yl]ethanamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[1-(2-imidazol-1-yl-6-isopropyl-pyrimidin-4-yl)azepan-2-yl]acetamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[1-[2-(1-imidazolyl)-6-propan-2-yl-4-pyrimidinyl]-2-azepanyl]acetamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[1-(2-imidazol-1-yl-6-propan-2-ylpyrimidin-4-yl)azepan-2-yl]acetamide Traditional Name: N-homoveratryl-2-[1-(2-imidazol-1-yl-6-isopropyl-pyrimidin-4-yl)azepan-2-yl]acetamide Formula: C28H38N6O3 MolecularWeight: 506.63972

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=NC(=N1)N2C=CN=C2)N3CCCCCC3CC(=O)NCCC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC(C)C1=CC(=NC(=N1)N2C=CN=C2)N3CCCCCC3CC(=O)NCCC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C28H38N6O3/c1-20(2)23-18-26(32-28(31-23)33-15-13-29-19-33)34-14-7-5-6-8-22(34)17-27(35)30-12-11-21-9-10-24(36-3)25(16-21)37-4/h9-10,13,15-16,18-20,22H,5-8,11-12,14,17H2,1-4H3,(H,30,35)