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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N4O3/c1-17-7-8-18(2)19(13-17)29-15-21(27)23-9-12-28-22-14-20(24-16-25-22)26-10-5-3-4-6-11-26/h7-8,13-14,16H,3-6,9-12,15H2,1-2H3,(H,23,27)