2-[[methyl-[(4-piperidin-1-ylphenyl)methyl]amino]methyl]-4-nitro-isoindole-1,3-dione

Systemtic Name: 2-[[methyl-[(4-piperidin-1-ylphenyl)methyl]amino]methyl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[[methyl-[[4-(1-piperidyl)phenyl]methyl]amino]methyl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[[methyl-[[4-(1-piperidinyl)phenyl]methyl]amino]methyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[[methyl-[(4-piperidin-1-ylphenyl)methyl]amino]methyl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[[methyl-(4-piperidinobenzyl)amino]methyl]-4-nitro-isoindoline-1,3-quinone Formula: C22H24N4O4 MolecularWeight: 408.45036

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)N2CCCCC2)CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=CC=C(C=C1)N2CCCCC2)CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H24N4O4/c1-23(14-16-8-10-17(11-9-16)24-12-3-2-4-13-24)15-25-21(27)18-6-5-7-19(26(29)30)20(18)22(25)28/h5-11H,2-4,12-15H2,1H3