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

Systemtic Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-2-(2-tert-butyl-4-methyl-phenoxy)propanamide Openeye Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-2-(2-tert-butyl-4-methyl-phenoxy)propanamide CAS Name: N-[2-[[6-(1-azepanyl)-4-pyrimidinyl]oxy]ethyl]-2-(2-tert-butyl-4-methylphenoxy)propanamide IUPAC Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-2-(2-tert-butyl-4-methylphenoxy)propanamide Traditional Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-2-(2-tert-butyl-4-methyl-phenoxy)propionamide Formula: C26H38N4O3 MolecularWeight: 454.60492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H38N4O3/c1-19-10-11-22(21(16-19)26(3,4)5)33-20(2)25(31)27-12-15-32-24-17-23(28-18-29-24)30-13-8-6-7-9-14-30/h10-11,16-18,20H,6-9,12-15H2,1-5H3,(H,27,31)