2-[2-[4-(diphenylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-5-nitro-isoindole-1,3-dione

Systemtic Name: 2-[2-[4-(diphenylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-5-nitro-isoindole-1,3-dione Openeye Name: 2-[2-(4-benzhydrylpiperazin-1-yl)-2-oxo-ethyl]-5-nitro-isoindoline-1,3-dione CAS Name: 2-[2-[4-(diphenylmethyl)-1-piperazinyl]-2-oxoethyl]-5-nitroisoindole-1,3-dione IUPAC Name: 2-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-5-nitroisoindole-1,3-dione Traditional Name: 2-[2-(4-benzhydrylpiperazino)-2-keto-ethyl]-5-nitro-isoindoline-1,3-quinone Formula: C27H24N4O5 MolecularWeight: 484.50326

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CN4C(=O)C5=C(C4=O)C=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CN4C(=O)C5=C(C4=O)C=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C27H24N4O5/c32-24(18-30-26(33)22-12-11-21(31(35)36)17-23(22)27(30)34)28-13-15-29(16-14-28)25(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-12,17,25H,13-16,18H2