4-(azepan-1-yl)-N-[4-(1-methylimidazol-2-yl)carbonylphenyl]-3-nitro-benzamide

Systemtic Name: 4-(azepan-1-yl)-N-[4-(1-methylimidazol-2-yl)carbonylphenyl]-3-nitro-benzamide Openeye Name: 4-(azepan-1-yl)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]-3-nitro-benzamide CAS Name: 4-(1-azepanyl)-N-[4-[(1-methyl-2-imidazolyl)-oxomethyl]phenyl]-3-nitrobenzamide IUPAC Name: 4-(azepan-1-yl)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]-3-nitrobenzamide Traditional Name: 4-(azepan-1-yl)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]-3-nitro-benzamide Formula: C24H25N5O4 MolecularWeight: 447.4864

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1C(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=C(C=C3)N4CCCCCC4)[N+](=O)[O-]

Isomeric SMILES

CN1C=CN=C1C(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=C(C=C3)N4CCCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C24H25N5O4/c1-27-15-12-25-23(27)22(30)17-6-9-19(10-7-17)26-24(31)18-8-11-20(21(16-18)29(32)33)28-13-4-2-3-5-14-28/h6-12,15-16H,2-5,13-14H2,1H3,(H,26,31)