4-(azepan-1-yl)-N-(4,5-dimethoxy-2-methyl-phenyl)-3-nitro-benzamide

Systemtic Name: 4-(azepan-1-yl)-N-(4,5-dimethoxy-2-methyl-phenyl)-3-nitro-benzamide Openeye Name: 4-(azepan-1-yl)-N-(4,5-dimethoxy-2-methyl-phenyl)-3-nitro-benzamide CAS Name: 4-(1-azepanyl)-N-(4,5-dimethoxy-2-methylphenyl)-3-nitrobenzamide IUPAC Name: 4-(azepan-1-yl)-N-(4,5-dimethoxy-2-methylphenyl)-3-nitrobenzamide Traditional Name: 4-(azepan-1-yl)-N-(4,5-dimethoxy-2-methyl-phenyl)-3-nitro-benzamide Formula: C22H27N3O5 MolecularWeight: 413.46688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-])OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1NC(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-])OC)OC

InChI

InChI=1S/C22H27N3O5/c1-15-12-20(29-2)21(30-3)14-17(15)23-22(26)16-8-9-18(19(13-16)25(27)28)24-10-6-4-5-7-11-24/h8-9,12-14H,4-7,10-11H2,1-3H3,(H,23,26)