N-[2-[(4-methylpiperazin-1-yl)methyl]-1-propyl-benzimidazol-5-yl]-3-nitro-benzamide

Systemtic Name: N-[2-[(4-methylpiperazin-1-yl)methyl]-1-propyl-benzimidazol-5-yl]-3-nitro-benzamide Openeye Name: N-[2-[(4-methylpiperazin-1-yl)methyl]-1-propyl-benzimidazol-5-yl]-3-nitro-benzamide CAS Name: N-[2-[(4-methyl-1-piperazinyl)methyl]-1-propyl-5-benzimidazolyl]-3-nitrobenzamide IUPAC Name: N-[2-[(4-methylpiperazin-1-yl)methyl]-1-propylbenzimidazol-5-yl]-3-nitrobenzamide Traditional Name: N-[2-[(4-methylpiperazino)methyl]-1-propyl-benzimidazol-5-yl]-3-nitro-benzamide Formula: C23H28N6O3 MolecularWeight: 436.50682

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