N-[(2R)-2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]-4-nitro-benzamide

Systemtic Name: N-[(2R)-2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]-4-nitro-benzamide Openeye Name: N-[(2R)-2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]-4-nitro-benzamide CAS Name: N-[(2R)-2-(1-azepanyl)-2-(4-methoxyphenyl)ethyl]-4-nitrobenzamide IUPAC Name: N-[(2R)-2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]-4-nitrobenzamide Traditional Name: N-[(2R)-2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]-4-nitro-benzamide Formula: C22H27N3O4 MolecularWeight: 397.46748

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)C2=CC=C(C=C2)[N+](=O)[O-])N3CCCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC(=O)C2=CC=C(C=C2)[N+](=O)[O-])N3CCCCCC3

InChI

InChI=1S/C22H27N3O4/c1-29-20-12-8-17(9-13-20)21(24-14-4-2-3-5-15-24)16-23-22(26)18-6-10-19(11-7-18)25(27)28/h6-13,21H,2-5,14-16H2,1H3,(H,23,26)/t21-/m0/s1