2-[[(1,3-diphenylpyrazol-4-yl)methyl-methyl-amino]methyl]-4-nitro-isoindole-1,3-dione

Systemtic Name: 2-[[(1,3-diphenylpyrazol-4-yl)methyl-methyl-amino]methyl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[[(1,3-diphenylpyrazol-4-yl)methyl-methyl-amino]methyl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[[(1,3-diphenyl-4-pyrazolyl)methyl-methylamino]methyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]methyl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[[(1,3-diphenylpyrazol-4-yl)methyl-methyl-amino]methyl]-4-nitro-isoindoline-1,3-quinone Formula: C26H21N5O4 MolecularWeight: 467.47604

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN(N=C1C2=CC=CC=C2)C3=CC=CC=C3)CN4C(=O)C5=C(C4=O)C(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=CN(N=C1C2=CC=CC=C2)C3=CC=CC=C3)CN4C(=O)C5=C(C4=O)C(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C26H21N5O4/c1-28(17-29-25(32)21-13-8-14-22(31(34)35)23(21)26(29)33)15-19-16-30(20-11-6-3-7-12-20)27-24(19)18-9-4-2-5-10-18/h2-14,16H,15,17H2,1H3