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

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[1-(2-imidazol-1-yl-6-propan-2-yl-pyrimidin-4-yl)azepan-2-yl]ethanamide Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[1-(2-imidazol-1-yl-6-isopropyl-pyrimidin-4-yl)azepan-2-yl]acetamide CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[1-[2-(1-imidazolyl)-6-propan-2-yl-4-pyrimidinyl]-2-azepanyl]acetamide IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[1-(2-imidazol-1-yl-6-propan-2-ylpyrimidin-4-yl)azepan-2-yl]acetamide Traditional Name: 2-[1-(2-imidazol-1-yl-6-isopropyl-pyrimidin-4-yl)azepan-2-yl]-N-veratryl-acetamide Formula: C27H36N6O3 MolecularWeight: 492.61314

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=NC(=N1)N2C=CN=C2)N3CCCCCC3CC(=O)NCC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC(C)C1=CC(=NC(=N1)N2C=CN=C2)N3CCCCCC3CC(=O)NCC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C27H36N6O3/c1-19(2)22-16-25(31-27(30-22)32-13-11-28-18-32)33-12-7-5-6-8-21(33)15-26(34)29-17-20-9-10-23(35-3)24(14-20)36-4/h9-11,13-14,16,18-19,21H,5-8,12,15,17H2,1-4H3,(H,29,34)