4-(azepan-1-yl)-3-nitro-N-(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)benzamide

Systemtic Name: 4-(azepan-1-yl)-3-nitro-N-(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)benzamide Openeye Name: 4-(azepan-1-yl)-3-nitro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide CAS Name: 4-(1-azepanyl)-3-nitro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide IUPAC Name: 4-(azepan-1-yl)-3-nitro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide Traditional Name: 4-(azepan-1-yl)-N-(2-keto-1,3-dihydrobenzimidazol-5-yl)-3-nitro-benzamide Formula: C20H21N5O4 MolecularWeight: 395.41184

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC4=C(C=C3)NC(=O)N4)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC4=C(C=C3)NC(=O)N4)[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O4/c26-19(21-14-6-7-15-16(12-14)23-20(27)22-15)13-5-8-17(18(11-13)25(28)29)24-9-3-1-2-4-10-24/h5-8,11-12H,1-4,9-10H2,(H,21,26)(H2,22,23,27)