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

Systemtic Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-2-(4-methoxyphenoxy)propanamide Openeye Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-2-(4-methoxyphenoxy)propanamide CAS Name: N-[2-[[6-(1-azepanyl)-4-pyrimidinyl]oxy]ethyl]-2-(4-methoxyphenoxy)propanamide IUPAC Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-2-(4-methoxyphenoxy)propanamide Traditional Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-2-(4-methoxyphenoxy)propionamide Formula: C22H30N4O4 MolecularWeight: 414.498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N4O4/c1-17(30-19-9-7-18(28-2)8-10-19)22(27)23-11-14-29-21-15-20(24-16-25-21)26-12-5-3-4-6-13-26/h7-10,15-17H,3-6,11-14H2,1-2H3,(H,23,27)