N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-2-(4-ethoxyphenoxy)propanamide

Systemtic Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-2-(4-ethoxyphenoxy)propanamide Openeye Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-2-(4-ethoxyphenoxy)propanamide CAS Name: N-[2-[[6-(1-azepanyl)-4-pyrimidinyl]oxy]ethyl]-2-(4-ethoxyphenoxy)propanamide IUPAC Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-2-(4-ethoxyphenoxy)propanamide Traditional Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-2-(4-ethoxyphenoxy)propionamide Formula: C23H32N4O4 MolecularWeight: 428.52458

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OC(C)C(=O)NCCOC2=NC=NC(=C2)N3CCCCCC3

Isomeric SMILES

CCOC1=CC=C(C=C1)OC(C)C(=O)NCCOC2=NC=NC(=C2)N3CCCCCC3

InChI

InChI=1S/C23H32N4O4/c1-3-29-19-8-10-20(11-9-19)31-18(2)23(28)24-12-15-30-22-16-21(25-17-26-22)27-13-6-4-5-7-14-27/h8-11,16-18H,3-7,12-15H2,1-2H3,(H,24,28)