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

Systemtic Name: 2-[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-5-nitro-isoindole-1,3-dione Openeye Name: 2-[2-[4-(1-naphthylmethyl)piperazin-1-yl]-2-oxo-ethyl]-5-nitro-isoindoline-1,3-dione CAS Name: 2-[2-[4-(1-naphthalenylmethyl)-1-piperazinyl]-2-oxoethyl]-5-nitroisoindole-1,3-dione IUPAC Name: 2-[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-oxoethyl]-5-nitroisoindole-1,3-dione Traditional Name: 2-[2-keto-2-[4-(1-naphthylmethyl)piperazino]ethyl]-5-nitro-isoindoline-1,3-quinone Formula: C25H22N4O5 MolecularWeight: 458.46598

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC3=CC=CC=C32)C(=O)CN4C(=O)C5=C(C4=O)C=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=CC3=CC=CC=C32)C(=O)CN4C(=O)C5=C(C4=O)C=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C25H22N4O5/c30-23(16-28-24(31)21-9-8-19(29(33)34)14-22(21)25(28)32)27-12-10-26(11-13-27)15-18-6-3-5-17-4-1-2-7-20(17)18/h1-9,14H,10-13,15-16H2