N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-2,6-dimethoxy-benzamide

Systemtic Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-2,6-dimethoxy-benzamide Openeye Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-2,6-dimethoxy-benzamide CAS Name: N-[2-[[6-(1-azepanyl)-4-pyrimidinyl]oxy]ethyl]-2,6-dimethoxybenzamide IUPAC Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-2,6-dimethoxybenzamide Traditional Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-2,6-dimethoxy-benzamide Formula: C21H28N4O4 MolecularWeight: 400.47142

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)C(=O)NCCOC2=NC=NC(=C2)N3CCCCCC3

Isomeric SMILES

COC1=C(C(=CC=C1)OC)C(=O)NCCOC2=NC=NC(=C2)N3CCCCCC3

InChI

InChI=1S/C21H28N4O4/c1-27-16-8-7-9-17(28-2)20(16)21(26)22-10-13-29-19-14-18(23-15-24-19)25-11-5-3-4-6-12-25/h7-9,14-15H,3-6,10-13H2,1-2H3,(H,22,26)