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

Systemtic Name: N-[1-methyl-2-[2-(4-methylpiperazin-1-yl)ethyl]benzimidazol-5-yl]-4-nitro-benzamide Openeye Name: N-[1-methyl-2-[2-(4-methylpiperazin-1-yl)ethyl]benzimidazol-5-yl]-4-nitro-benzamide CAS Name: N-[1-methyl-2-[2-(4-methyl-1-piperazinyl)ethyl]-5-benzimidazolyl]-4-nitrobenzamide IUPAC Name: N-[1-methyl-2-[2-(4-methylpiperazin-1-yl)ethyl]benzimidazol-5-yl]-4-nitrobenzamide Traditional Name: N-[1-methyl-2-[2-(4-methylpiperazino)ethyl]benzimidazol-5-yl]-4-nitro-benzamide Formula: C22H26N6O3 MolecularWeight: 422.48024

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCC2=NC3=C(N2C)C=CC(=C3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)CCC2=NC3=C(N2C)C=CC(=C3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H26N6O3/c1-25-11-13-27(14-12-25)10-9-21-24-19-15-17(5-8-20(19)26(21)2)23-22(29)16-3-6-18(7-4-16)28(30)31/h3-8,15H,9-14H2,1-2H3,(H,23,29)