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

Systemtic Name: 4-(azepan-1-yl)-N-[2-(1H-benzimidazol-2-yl)ethyl]-3-nitro-benzamide Openeye Name: 4-(azepan-1-yl)-N-[2-(1H-benzimidazol-2-yl)ethyl]-3-nitro-benzamide CAS Name: 4-(1-azepanyl)-N-[2-(1H-benzimidazol-2-yl)ethyl]-3-nitrobenzamide IUPAC Name: 4-(azepan-1-yl)-N-[2-(1H-benzimidazol-2-yl)ethyl]-3-nitrobenzamide Traditional Name: 4-(azepan-1-yl)-N-[2-(1H-benzimidazol-2-yl)ethyl]-3-nitro-benzamide Formula: C22H25N5O3 MolecularWeight: 407.4656

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)NCCC3=NC4=CC=CC=C4N3)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)NCCC3=NC4=CC=CC=C4N3)[N+](=O)[O-]

InChI

InChI=1S/C22H25N5O3/c28-22(23-12-11-21-24-17-7-3-4-8-18(17)25-21)16-9-10-19(20(15-16)27(29)30)26-13-5-1-2-6-14-26/h3-4,7-10,15H,1-2,5-6,11-14H2,(H,23,28)(H,24,25)