2-[[4-[(3-nitrophenyl)methyl]piperazin-1-yl]methyl]-1H-benzimidazole

Systemtic Name: 2-[[4-[(3-nitrophenyl)methyl]piperazin-1-yl]methyl]-1H-benzimidazole Openeye Name: 2-[[4-[(3-nitrophenyl)methyl]piperazin-1-yl]methyl]-1H-benzimidazole CAS Name: 2-[[4-[(3-nitrophenyl)methyl]-1-piperazinyl]methyl]-1H-benzimidazole IUPAC Name: 2-[[4-[(3-nitrophenyl)methyl]piperazin-1-yl]methyl]-1H-benzimidazole Traditional Name: 2-[[4-(3-nitrobenzyl)piperazino]methyl]-1H-benzimidazole Formula: C19H21N5O2 MolecularWeight: 351.40234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC(=CC=C2)[N+](=O)[O-])CC3=NC4=CC=CC=C4N3

Isomeric SMILES

C1CN(CCN1CC2=CC(=CC=C2)[N+](=O)[O-])CC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C19H21N5O2/c25-24(26)16-5-3-4-15(12-16)13-22-8-10-23(11-9-22)14-19-20-17-6-1-2-7-18(17)21-19/h1-7,12H,8-11,13-14H2,(H,20,21)