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

Systemtic Name: N-(4-fluoranyl-2-nitro-phenyl)-2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]ethanamide Openeye Name: N-(4-fluoro-2-nitro-phenyl)-2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]acetamide CAS Name: N-(4-fluoro-2-nitrophenyl)-2-[(2R)-2-(4-methoxyphenyl)-1-azepanyl]acetamide IUPAC Name: N-(4-fluoro-2-nitrophenyl)-2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]acetamide Traditional Name: N-(4-fluoro-2-nitro-phenyl)-2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]acetamide Formula: C21H24FN3O4 MolecularWeight: 401.431363

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24FN3O4/c1-29-17-9-6-15(7-10-17)19-5-3-2-4-12-24(19)14-21(26)23-18-11-8-16(22)13-20(18)25(27)28/h6-11,13,19H,2-5,12,14H2,1H3,(H,23,26)/t19-/m1/s1