4-[[2-(4-methoxyphenyl)azepan-1-yl]methyl]-3-nitro-benzamide

Systemtic Name: 4-[[2-(4-methoxyphenyl)azepan-1-yl]methyl]-3-nitro-benzamide Openeye Name: 4-[[2-(4-methoxyphenyl)azepan-1-yl]methyl]-3-nitro-benzamide CAS Name: 4-[[2-(4-methoxyphenyl)-1-azepanyl]methyl]-3-nitrobenzamide IUPAC Name: 4-[[2-(4-methoxyphenyl)azepan-1-yl]methyl]-3-nitrobenzamide Traditional Name: 4-[[2-(4-methoxyphenyl)azepan-1-yl]methyl]-3-nitro-benzamide Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCCCCN2CC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2CCCCCN2CC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O4/c1-28-18-10-8-15(9-11-18)19-5-3-2-4-12-23(19)14-17-7-6-16(21(22)25)13-20(17)24(26)27/h6-11,13,19H,2-5,12,14H2,1H3,(H2,22,25)