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

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-1-(6-ethyl-2-imidazol-1-yl-pyrimidin-4-yl)azepane-2-carboxamide Openeye Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-1-(6-ethyl-2-imidazol-1-yl-pyrimidin-4-yl)azepane-2-carboxamide CAS Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-1-[6-ethyl-2-(1-imidazolyl)-4-pyrimidinyl]-2-azepanecarboxamide IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-1-(6-ethyl-2-imidazol-1-ylpyrimidin-4-yl)azepane-2-carboxamide Traditional Name: 1-(6-ethyl-2-imidazol-1-yl-pyrimidin-4-yl)-N-homopiperonyl-azepane-2-carboxamide Formula: C25H30N6O3 MolecularWeight: 462.5441

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)N2C=CN=C2)N3CCCCCC3C(=O)NCCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCC1=CC(=NC(=N1)N2C=CN=C2)N3CCCCCC3C(=O)NCCC4=CC5=C(C=C4)OCO5

InChI

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