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

Systemtic Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-2-(3,4-dimethoxyphenyl)ethanamide Openeye Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-2-(3,4-dimethoxyphenyl)acetamide CAS Name: N-[2-[[6-(1-azepanyl)-4-pyrimidinyl]oxy]ethyl]-2-(3,4-dimethoxyphenyl)acetamide IUPAC Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-2-(3,4-dimethoxyphenyl)acetamide Traditional Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-2-(3,4-dimethoxyphenyl)acetamide Formula: C22H30N4O4 MolecularWeight: 414.498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N4O4/c1-28-18-8-7-17(13-19(18)29-2)14-21(27)23-9-12-30-22-15-20(24-16-25-22)26-10-5-3-4-6-11-26/h7-8,13,15-16H,3-6,9-12,14H2,1-2H3,(H,23,27)