N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-3,5-dimethoxy-benzamide

Systemtic Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-3,5-dimethoxy-benzamide Openeye Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-3,5-dimethoxy-benzamide CAS Name: N-[2-[[6-(1-azepanyl)-4-pyrimidinyl]oxy]ethyl]-3,5-dimethoxybenzamide IUPAC Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-3,5-dimethoxybenzamide Traditional Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-3,5-dimethoxy-benzamide Formula: C21H28N4O4 MolecularWeight: 400.47142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O4/c1-27-17-11-16(12-18(13-17)28-2)21(26)22-7-10-29-20-14-19(23-15-24-20)25-8-5-3-4-6-9-25/h11-15H,3-10H2,1-2H3,(H,22,26)