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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(6-ethyl-2-imidazol-1-yl-pyrimidin-4-yl)azepan-2-yl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(6-ethyl-2-imidazol-1-yl-pyrimidin-4-yl)azepan-2-yl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-[6-ethyl-2-(1-imidazolyl)-4-pyrimidinyl]-2-azepanyl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(6-ethyl-2-imidazol-1-ylpyrimidin-4-yl)azepan-2-yl]acetamide Traditional Name: 2-[1-(6-ethyl-2-imidazol-1-yl-pyrimidin-4-yl)azepan-2-yl]-N-piperonyl-acetamide Formula: C25H30N6O3 MolecularWeight: 462.5441

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)N2C=CN=C2)N3CCCCCC3CC(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCC1=CC(=NC(=N1)N2C=CN=C2)N3CCCCCC3CC(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H30N6O3/c1-2-19-13-23(29-25(28-19)30-11-9-26-16-30)31-10-5-3-4-6-20(31)14-24(32)27-15-18-7-8-21-22(12-18)34-17-33-21/h7-9,11-13,16,20H,2-6,10,14-15,17H2,1H3,(H,27,32)