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

Systemtic Name: 5-nitro-2-[2-oxidanylidene-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]ethyl]isoindole-1,3-dione Openeye Name: 2-[2-[4-[(4-isopropylphenyl)methyl]piperazin-1-yl]-2-oxo-ethyl]-5-nitro-isoindoline-1,3-dione CAS Name: 5-nitro-2-[2-oxo-2-[4-[(4-propan-2-ylphenyl)methyl]-1-piperazinyl]ethyl]isoindole-1,3-dione IUPAC Name: 5-nitro-2-[2-oxo-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]ethyl]isoindole-1,3-dione Traditional Name: 2-[2-[4-(4-isopropylbenzyl)piperazino]-2-keto-ethyl]-5-nitro-isoindoline-1,3-quinone Formula: C24H26N4O5 MolecularWeight: 450.48704

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CN2CCN(CC2)C(=O)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CN2CCN(CC2)C(=O)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H26N4O5/c1-16(2)18-5-3-17(4-6-18)14-25-9-11-26(12-10-25)22(29)15-27-23(30)20-8-7-19(28(32)33)13-21(20)24(27)31/h3-8,13,16H,9-12,14-15H2,1-2H3