2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]-N-(2-methyl-5-nitro-phenyl)ethanamide

Systemtic Name: 2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]-N-(2-methyl-5-nitro-phenyl)ethanamide Openeye Name: 2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]-N-(2-methyl-5-nitro-phenyl)acetamide CAS Name: 2-[(2R)-2-(4-methoxyphenyl)-1-azepanyl]-N-(2-methyl-5-nitrophenyl)acetamide IUPAC Name: 2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]-N-(2-methyl-5-nitrophenyl)acetamide Traditional Name: 2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]-N-(2-methyl-5-nitro-phenyl)acetamide Formula: C22H27N3O4 MolecularWeight: 397.46748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CN2CCCCCC2C3=CC=C(C=C3)OC

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CN2CCCCC[C@@H]2C3=CC=C(C=C3)OC

InChI

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