4-(azepan-1-yl)-N-(3-methylpyridin-2-yl)-3-nitro-benzamide

Systemtic Name: 4-(azepan-1-yl)-N-(3-methylpyridin-2-yl)-3-nitro-benzamide Openeye Name: 4-(azepan-1-yl)-N-(3-methyl-2-pyridyl)-3-nitro-benzamide CAS Name: 4-(1-azepanyl)-N-(3-methyl-2-pyridinyl)-3-nitrobenzamide IUPAC Name: 4-(azepan-1-yl)-N-(3-methylpyridin-2-yl)-3-nitrobenzamide Traditional Name: 4-(azepan-1-yl)-N-(3-methyl-2-pyridyl)-3-nitro-benzamide Formula: C19H22N4O3 MolecularWeight: 354.40298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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