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

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

Systemtic Name:4-(azepan-1-yl)-N-(1H-benzimidazol-2-yl)-3-nitro-benzamide
Openeye Name:4-(azepan-1-yl)-N-(1H-benzimidazol-2-yl)-3-nitro-benzamide
CAS Name:4-(1-azepanyl)-N-(1H-benzimidazol-2-yl)-3-nitrobenzamide
IUPAC Name:4-(azepan-1-yl)-N-(1H-benzimidazol-2-yl)-3-nitrobenzamide
Traditional Name:4-(azepan-1-yl)-N-(1H-benzimidazol-2-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)NC3=NC4=CC=CC=C4N3)[N+](=O)[O-]


Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=NC4=CC=CC=C4N3)[N+](=O)[O-]


InChI

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


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