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

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-[1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)azepan-2-yl]ethanamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-[1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)azepan-2-yl]acetamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-[1-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]-2-azepanyl]acetamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-[1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)azepan-2-yl]acetamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-[1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)azepan-2-yl]acetamide Formula: C25H30N6O3 MolecularWeight: 462.5441

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C=CN=C2)N3CCCCCC3CC(=O)NCC4=CC5=C(C=C4)OCCO5

Isomeric SMILES

CC1=CC(=NC(=N1)N2C=CN=C2)N3CCCCCC3CC(=O)NCC4=CC5=C(C=C4)OCCO5

InChI

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