N-[2-(1,3-benzodioxol-5-yl)ethyl]-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)azepane-2-carboxamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)azepane-2-carboxamide Openeye Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)azepane-2-carboxamide CAS Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-1-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]-2-azepanecarboxamide IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)azepane-2-carboxamide Traditional Name: N-homopiperonyl-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)azepane-2-carboxamide Formula: C24H28N6O3 MolecularWeight: 448.51752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C=CN=C2)N3CCCCCC3C(=O)NCCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC(=NC(=N1)N2C=CN=C2)N3CCCCCC3C(=O)NCCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H28N6O3/c1-17-13-22(28-24(27-17)29-12-10-25-15-29)30-11-4-2-3-5-19(30)23(31)26-9-8-18-6-7-20-21(14-18)33-16-32-20/h6-7,10,12-15,19H,2-5,8-9,11,16H2,1H3,(H,26,31)