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

Systemtic Name: 4-(azepan-1-yl)-N-[2-(1H-benzimidazol-2-yl)phenyl]-3-nitro-benzamide Openeye Name: 4-(azepan-1-yl)-N-[2-(1H-benzimidazol-2-yl)phenyl]-3-nitro-benzamide CAS Name: 4-(1-azepanyl)-N-[2-(1H-benzimidazol-2-yl)phenyl]-3-nitrobenzamide IUPAC Name: 4-(azepan-1-yl)-N-[2-(1H-benzimidazol-2-yl)phenyl]-3-nitrobenzamide Traditional Name: 4-(azepan-1-yl)-N-[2-(1H-benzimidazol-2-yl)phenyl]-3-nitro-benzamide Formula: C26H25N5O3 MolecularWeight: 455.5084

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC=CC=C3C4=NC5=CC=CC=C5N4)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC=CC=C3C4=NC5=CC=CC=C5N4)[N+](=O)[O-]

InChI

InChI=1S/C26H25N5O3/c32-26(18-13-14-23(24(17-18)31(33)34)30-15-7-1-2-8-16-30)29-20-10-4-3-9-19(20)25-27-21-11-5-6-12-22(21)28-25/h3-6,9-14,17H,1-2,7-8,15-16H2,(H,27,28)(H,29,32)