N-[2-[(4-methylpiperazin-1-yl)methyl]-1-propyl-benzimidazol-5-yl]-2-nitro-benzamide

Systemtic Name: N-[2-[(4-methylpiperazin-1-yl)methyl]-1-propyl-benzimidazol-5-yl]-2-nitro-benzamide Openeye Name: N-[2-[(4-methylpiperazin-1-yl)methyl]-1-propyl-benzimidazol-5-yl]-2-nitro-benzamide CAS Name: N-[2-[(4-methyl-1-piperazinyl)methyl]-1-propyl-5-benzimidazolyl]-2-nitrobenzamide IUPAC Name: N-[2-[(4-methylpiperazin-1-yl)methyl]-1-propylbenzimidazol-5-yl]-2-nitrobenzamide Traditional Name: N-[2-[(4-methylpiperazino)methyl]-1-propyl-benzimidazol-5-yl]-2-nitro-benzamide Formula: C23H28N6O3 MolecularWeight: 436.50682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3[N+](=O)[O-])N=C1CN4CCN(CC4)C

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3[N+](=O)[O-])N=C1CN4CCN(CC4)C

InChI

InChI=1S/C23H28N6O3/c1-3-10-28-21-9-8-17(24-23(30)18-6-4-5-7-20(18)29(31)32)15-19(21)25-22(28)16-27-13-11-26(2)12-14-27/h4-9,15H,3,10-14,16H2,1-2H3,(H,24,30)