2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]-N-(3-nitrophenyl)ethanamide

Systemtic Name: 2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]-N-(3-nitrophenyl)ethanamide Openeye Name: 2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]-N-(3-nitrophenyl)acetamide CAS Name: 2-[(2R)-2-(4-methoxyphenyl)-1-azepanyl]-N-(3-nitrophenyl)acetamide IUPAC Name: 2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]-N-(3-nitrophenyl)acetamide Traditional Name: 2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]-N-(3-nitrophenyl)acetamide Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCCCCN2CC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2CCCCCN2CC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O4/c1-28-19-11-9-16(10-12-19)20-8-3-2-4-13-23(20)15-21(25)22-17-6-5-7-18(14-17)24(26)27/h5-7,9-12,14,20H,2-4,8,13,15H2,1H3,(H,22,25)/t20-/m1/s1