N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-2-(4-methoxyphenyl)ethanamide

Systemtic Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-2-(4-methoxyphenyl)ethanamide Openeye Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-2-(4-methoxyphenyl)acetamide CAS Name: N-[2-[[6-(1-azepanyl)-4-pyrimidinyl]oxy]ethyl]-2-(4-methoxyphenyl)acetamide IUPAC Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-2-(4-methoxyphenyl)acetamide Traditional Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-2-(4-methoxyphenyl)acetamide Formula: C21H28N4O3 MolecularWeight: 384.47202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O3/c1-27-18-8-6-17(7-9-18)14-20(26)22-10-13-28-21-15-19(23-16-24-21)25-11-4-2-3-5-12-25/h6-9,15-16H,2-5,10-14H2,1H3,(H,22,26)