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

Systemtic Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-2-(3-methylphenoxy)propanamide Openeye Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-2-(3-methylphenoxy)propanamide CAS Name: N-[2-[[6-(1-azepanyl)-4-pyrimidinyl]oxy]ethyl]-2-(3-methylphenoxy)propanamide IUPAC Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-2-(3-methylphenoxy)propanamide Traditional Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-2-(3-methylphenoxy)propionamide Formula: C22H30N4O3 MolecularWeight: 398.4986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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