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

Systemtic Name: N-(2-methoxy-5-nitro-phenyl)-2-[2-(4-methoxyphenyl)azepan-1-yl]ethanamide Openeye Name: N-(2-methoxy-5-nitro-phenyl)-2-[2-(4-methoxyphenyl)azepan-1-yl]acetamide CAS Name: N-(2-methoxy-5-nitrophenyl)-2-[2-(4-methoxyphenyl)-1-azepanyl]acetamide IUPAC Name: N-(2-methoxy-5-nitrophenyl)-2-[2-(4-methoxyphenyl)azepan-1-yl]acetamide Traditional Name: N-(2-methoxy-5-nitro-phenyl)-2-[2-(4-methoxyphenyl)azepan-1-yl]acetamide Formula: C22H27N3O5 MolecularWeight: 413.46688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O5/c1-29-18-10-7-16(8-11-18)20-6-4-3-5-13-24(20)15-22(26)23-19-14-17(25(27)28)9-12-21(19)30-2/h7-12,14,20H,3-6,13,15H2,1-2H3,(H,23,26)