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

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)azepane-2-carboxamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)azepane-2-carboxamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]-2-azepanecarboxamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)azepane-2-carboxamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-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)NCC4=CC5=C(C=C4)OCCO5

Isomeric SMILES

CC1=CC(=NC(=N1)N2C=CN=C2)N3CCCCCC3C(=O)NCC4=CC5=C(C=C4)OCCO5

InChI

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