N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)azepan-2-yl]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)azepan-2-yl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)azepan-2-yl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]-2-azepanyl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-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-piperonyl-acetamide Formula: C24H28N6O3 MolecularWeight: 448.51752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C=CN=C2)N3CCCCCC3CC(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC(=NC(=N1)N2C=CN=C2)N3CCCCCC3CC(=O)NCC4=CC5=C(C=C4)OCO5

InChI

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