4-(azepan-1-yl)-N-(benzimidazol-1-yl)-3-nitro-benzamide

Systemtic Name: 4-(azepan-1-yl)-N-(benzimidazol-1-yl)-3-nitro-benzamide Openeye Name: 4-(azepan-1-yl)-N-(benzimidazol-1-yl)-3-nitro-benzamide CAS Name: 4-(1-azepanyl)-N-(1-benzimidazolyl)-3-nitrobenzamide IUPAC Name: 4-(azepan-1-yl)-N-(benzimidazol-1-yl)-3-nitrobenzamide Traditional Name: 4-(azepan-1-yl)-N-(benzimidazol-1-yl)-3-nitro-benzamide Formula: C20H21N5O3 MolecularWeight: 379.41244

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)NN3C=NC4=CC=CC=C43)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)NN3C=NC4=CC=CC=C43)[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O3/c26-20(22-24-14-21-16-7-3-4-8-17(16)24)15-9-10-18(19(13-15)25(27)28)23-11-5-1-2-6-12-23/h3-4,7-10,13-14H,1-2,5-6,11-12H2,(H,22,26)