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

Systemtic Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-2-phenoxy-propanamide Openeye Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-2-phenoxy-propanamide CAS Name: N-[2-[[6-(1-azepanyl)-4-pyrimidinyl]oxy]ethyl]-2-phenoxypropanamide IUPAC Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-2-phenoxypropanamide Traditional Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-2-phenoxy-propionamide Formula: C21H28N4O3 MolecularWeight: 384.47202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O3/c1-17(28-18-9-5-4-6-10-18)21(26)22-11-14-27-20-15-19(23-16-24-20)25-12-7-2-3-8-13-25/h4-6,9-10,15-17H,2-3,7-8,11-14H2,1H3,(H,22,26)