N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-2-(3-fluoranylphenoxy)propanamide

Systemtic Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-2-(3-fluoranylphenoxy)propanamide Openeye Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-2-(3-fluorophenoxy)propanamide CAS Name: N-[2-[[6-(1-azepanyl)-4-pyrimidinyl]oxy]ethyl]-2-(3-fluorophenoxy)propanamide IUPAC Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-2-(3-fluorophenoxy)propanamide Traditional Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-2-(3-fluorophenoxy)propionamide Formula: C21H27FN4O3 MolecularWeight: 402.462483

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCOC1=NC=NC(=C1)N2CCCCCC2)OC3=CC(=CC=C3)F

Isomeric SMILES

CC(C(=O)NCCOC1=NC=NC(=C1)N2CCCCCC2)OC3=CC(=CC=C3)F

InChI

InChI=1S/C21H27FN4O3/c1-16(29-18-8-6-7-17(22)13-18)21(27)23-9-12-28-20-14-19(24-15-25-20)26-10-4-2-3-5-11-26/h6-8,13-16H,2-5,9-12H2,1H3,(H,23,27)