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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C=CN=C2)N3CCCCCC3C(=O)NCCC4=CC5=C(C=C4)OCCO5

Isomeric SMILES

CC1=CC(=NC(=N1)N2C=CN=C2)N3CCCCCC3C(=O)NCCC4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C25H30N6O3/c1-18-15-23(29-25(28-18)30-12-10-26-17-30)31-11-4-2-3-5-20(31)24(32)27-9-8-19-6-7-21-22(16-19)34-14-13-33-21/h6-7,10,12,15-17,20H,2-5,8-9,11,13-14H2,1H3,(H,27,32)