N-(2,6-diethylphenyl)-2-[4-[5-methoxy-2-[2,2,2-tris(fluoranyl)ethoxy]phenyl]carbonyl-1,4-diazepan-1-yl]ethanamide

Systemtic Name: N-(2,6-diethylphenyl)-2-[4-[5-methoxy-2-[2,2,2-tris(fluoranyl)ethoxy]phenyl]carbonyl-1,4-diazepan-1-yl]ethanamide Openeye Name: N-(2,6-diethylphenyl)-2-[4-[5-methoxy-2-(2,2,2-trifluoroethoxy)benzoyl]-1,4-diazepan-1-yl]acetamide CAS Name: N-(2,6-diethylphenyl)-2-[4-[[5-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]-oxomethyl]-1,4-diazepan-1-yl]acetamide IUPAC Name: N-(2,6-diethylphenyl)-2-[4-[5-methoxy-2-(2,2,2-trifluoroethoxy)benzoyl]-1,4-diazepan-1-yl]acetamide Traditional Name: N-(2,6-diethylphenyl)-2-[4-[5-methoxy-2-(2,2,2-trifluoroethoxy)benzoyl]-1,4-diazepan-1-yl]acetamide Formula: C27H34F3N3O4 MolecularWeight: 521.57177

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)CN2CCCN(CC2)C(=O)C3=C(C=CC(=C3)OC)OCC(F)(F)F

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)CN2CCCN(CC2)C(=O)C3=C(C=CC(=C3)OC)OCC(F)(F)F

InChI

InChI=1S/C27H34F3N3O4/c1-4-19-8-6-9-20(5-2)25(19)31-24(34)17-32-12-7-13-33(15-14-32)26(35)22-16-21(36-3)10-11-23(22)37-18-27(28,29)30/h6,8-11,16H,4-5,7,12-15,17-18H2,1-3H3,(H,31,34)