2-[[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]methyl]-5-nitro-isoindole-1,3-dione

Systemtic Name: 2-[[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]methyl]-5-nitro-isoindole-1,3-dione Openeye Name: 2-[[methyl-[[2-(1-piperidyl)phenyl]methyl]amino]methyl]-5-nitro-isoindoline-1,3-dione CAS Name: 2-[[methyl-[[2-(1-piperidinyl)phenyl]methyl]amino]methyl]-5-nitroisoindole-1,3-dione IUPAC Name: 2-[[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]methyl]-5-nitroisoindole-1,3-dione Traditional Name: 2-[[methyl-(2-piperidinobenzyl)amino]methyl]-5-nitro-isoindoline-1,3-quinone Formula: C22H24N4O4 MolecularWeight: 408.45036

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1N2CCCCC2)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=CC=CC=C1N2CCCCC2)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H24N4O4/c1-23(14-16-7-3-4-8-20(16)24-11-5-2-6-12-24)15-25-21(27)18-10-9-17(26(29)30)13-19(18)22(25)28/h3-4,7-10,13H,2,5-6,11-12,14-15H2,1H3