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

Systemtic Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-2-(3,5-dimethylphenoxy)ethanamide Openeye Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-2-(3,5-dimethylphenoxy)acetamide CAS Name: N-[2-[[6-(1-azepanyl)-4-pyrimidinyl]oxy]ethyl]-2-(3,5-dimethylphenoxy)acetamide IUPAC Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-2-(3,5-dimethylphenoxy)acetamide Traditional Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-2-(3,5-dimethylphenoxy)acetamide Formula: C22H30N4O3 MolecularWeight: 398.4986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCC(=O)NCCOC2=NC=NC(=C2)N3CCCCCC3)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCC(=O)NCCOC2=NC=NC(=C2)N3CCCCCC3)C

InChI

InChI=1S/C22H30N4O3/c1-17-11-18(2)13-19(12-17)29-15-21(27)23-7-10-28-22-14-20(24-16-25-22)26-8-5-3-4-6-9-26/h11-14,16H,3-10,15H2,1-2H3,(H,23,27)