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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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