2-(azepan-1-yl)-N-(6-methylpyridin-2-yl)-5-nitro-benzamide

Systemtic Name: 2-(azepan-1-yl)-N-(6-methylpyridin-2-yl)-5-nitro-benzamide Openeye Name: 2-(azepan-1-yl)-N-(6-methyl-2-pyridyl)-5-nitro-benzamide CAS Name: 2-(1-azepanyl)-N-(6-methyl-2-pyridinyl)-5-nitrobenzamide IUPAC Name: 2-(azepan-1-yl)-N-(6-methylpyridin-2-yl)-5-nitrobenzamide Traditional Name: 2-(azepan-1-yl)-N-(6-methyl-2-pyridyl)-5-nitro-benzamide Formula: C19H22N4O3 MolecularWeight: 354.40298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N4O3/c1-14-7-6-8-18(20-14)21-19(24)16-13-15(23(25)26)9-10-17(16)22-11-4-2-3-5-12-22/h6-10,13H,2-5,11-12H2,1H3,(H,20,21,24)