2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]-N-methyl-N-(4-nitrophenyl)ethanamide

Systemtic Name: 2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]-N-methyl-N-(4-nitrophenyl)ethanamide Openeye Name: 2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]-N-methyl-N-(4-nitrophenyl)acetamide CAS Name: 2-[(2R)-2-(4-methoxyphenyl)-1-azepanyl]-N-methyl-N-(4-nitrophenyl)acetamide IUPAC Name: 2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]-N-methyl-N-(4-nitrophenyl)acetamide Traditional Name: 2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]-N-methyl-N-(4-nitrophenyl)acetamide Formula: C22H27N3O4 MolecularWeight: 397.46748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=C(C=C1)[N+](=O)[O-])C(=O)CN2CCCCCC2C3=CC=C(C=C3)OC

Isomeric SMILES

CN(C1=CC=C(C=C1)[N+](=O)[O-])C(=O)CN2CCCCC[C@@H]2C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H27N3O4/c1-23(18-9-11-19(12-10-18)25(27)28)22(26)16-24-15-5-3-4-6-21(24)17-7-13-20(29-2)14-8-17/h7-14,21H,3-6,15-16H2,1-2H3/t21-/m1/s1