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

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-1-(2-imidazol-1-yl-6-propan-2-yl-pyrimidin-4-yl)azepane-2-carboxamide Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-1-(2-imidazol-1-yl-6-isopropyl-pyrimidin-4-yl)azepane-2-carboxamide CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-1-[2-(1-imidazolyl)-6-propan-2-yl-4-pyrimidinyl]-2-azepanecarboxamide IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-1-(2-imidazol-1-yl-6-propan-2-ylpyrimidin-4-yl)azepane-2-carboxamide Traditional Name: 1-(2-imidazol-1-yl-6-isopropyl-pyrimidin-4-yl)-N-veratryl-azepane-2-carboxamide Formula: C26H34N6O3 MolecularWeight: 478.58656

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=NC(=N1)N2C=CN=C2)N3CCCCCC3C(=O)NCC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC(C)C1=CC(=NC(=N1)N2C=CN=C2)N3CCCCCC3C(=O)NCC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C26H34N6O3/c1-18(2)20-15-24(30-26(29-20)31-13-11-27-17-31)32-12-7-5-6-8-21(32)25(33)28-16-19-9-10-22(34-3)23(14-19)35-4/h9-11,13-15,17-18,21H,5-8,12,16H2,1-4H3,(H,28,33)