6-(azepan-1-yl)-N-[(2-chloranyl-5-nitro-phenyl)methyl]-N-methyl-pyridine-3-carboxamide

Systemtic Name: 6-(azepan-1-yl)-N-[(2-chloranyl-5-nitro-phenyl)methyl]-N-methyl-pyridine-3-carboxamide Openeye Name: 6-(azepan-1-yl)-N-[(2-chloro-5-nitro-phenyl)methyl]-N-methyl-pyridine-3-carboxamide CAS Name: 6-(1-azepanyl)-N-[(2-chloro-5-nitrophenyl)methyl]-N-methyl-3-pyridinecarboxamide IUPAC Name: 6-(azepan-1-yl)-N-[(2-chloro-5-nitrophenyl)methyl]-N-methylpyridine-3-carboxamide Traditional Name: 6-(azepan-1-yl)-N-(2-chloro-5-nitro-benzyl)-N-methyl-nicotinamide Formula: C20H23ClN4O3 MolecularWeight: 402.87462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23ClN4O3/c1-23(14-16-12-17(25(27)28)7-8-18(16)21)20(26)15-6-9-19(22-13-15)24-10-4-2-3-5-11-24/h6-9,12-13H,2-5,10-11,14H2,1H3