2-[[1-[(4-methylpiperazin-1-yl)methyl]benzimidazol-2-yl]methyl]-5-nitro-isoindole-1,3-dione

Systemtic Name: 2-[[1-[(4-methylpiperazin-1-yl)methyl]benzimidazol-2-yl]methyl]-5-nitro-isoindole-1,3-dione Openeye Name: 2-[[1-[(4-methylpiperazin-1-yl)methyl]benzimidazol-2-yl]methyl]-5-nitro-isoindoline-1,3-dione CAS Name: 2-[[1-[(4-methyl-1-piperazinyl)methyl]-2-benzimidazolyl]methyl]-5-nitroisoindole-1,3-dione IUPAC Name: 2-[[1-[(4-methylpiperazin-1-yl)methyl]benzimidazol-2-yl]methyl]-5-nitroisoindole-1,3-dione Traditional Name: 2-[[1-[(4-methylpiperazino)methyl]benzimidazol-2-yl]methyl]-5-nitro-isoindoline-1,3-quinone Formula: C22H22N6O4 MolecularWeight: 434.44788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CN2C3=CC=CC=C3N=C2CN4C(=O)C5=C(C4=O)C=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)CN2C3=CC=CC=C3N=C2CN4C(=O)C5=C(C4=O)C=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C22H22N6O4/c1-24-8-10-25(11-9-24)14-27-19-5-3-2-4-18(19)23-20(27)13-26-21(29)16-7-6-15(28(31)32)12-17(16)22(26)30/h2-7,12H,8-11,13-14H2,1H3