2-(azepan-1-yl)-N-(4-methylphenyl)-5-nitro-benzamide

Systemtic Name: 2-(azepan-1-yl)-N-(4-methylphenyl)-5-nitro-benzamide Openeye Name: 2-(azepan-1-yl)-5-nitro-N-(p-tolyl)benzamide CAS Name: 2-(1-azepanyl)-N-(4-methylphenyl)-5-nitrobenzamide IUPAC Name: 2-(azepan-1-yl)-N-(4-methylphenyl)-5-nitrobenzamide Traditional Name: 2-(azepan-1-yl)-5-nitro-N-(p-tolyl)benzamide Formula: C20H23N3O3 MolecularWeight: 353.41492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCCCC3

InChI

InChI=1S/C20H23N3O3/c1-15-6-8-16(9-7-15)21-20(24)18-14-17(23(25)26)10-11-19(18)22-12-4-2-3-5-13-22/h6-11,14H,2-5,12-13H2,1H3,(H,21,24)