2-[[2-[1-[(5-nitrothiophen-3-yl)methyl]piperidin-4-yl]imidazol-1-yl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[2-[1-[(5-nitrothiophen-3-yl)methyl]piperidin-4-yl]imidazol-1-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[[2-[1-[(5-nitro-3-thienyl)methyl]-4-piperidyl]imidazol-1-yl]methyl]isoindoline-1,3-dione CAS Name: 2-[[2-[1-[(5-nitro-3-thiophenyl)methyl]-4-piperidinyl]-1-imidazolyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[2-[1-[(5-nitrothiophen-3-yl)methyl]piperidin-4-yl]imidazol-1-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[[2-[1-[(5-nitro-3-thienyl)methyl]-4-piperidyl]imidazol-1-yl]methyl]isoindoline-1,3-quinone Formula: C22H21N5O4S MolecularWeight: 451.49824

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC=CN2CN3C(=O)C4=CC=CC=C4C3=O)CC5=CSC(=C5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C2=NC=CN2CN3C(=O)C4=CC=CC=C4C3=O)CC5=CSC(=C5)[N+](=O)[O-]

InChI

InChI=1S/C22H21N5O4S/c28-21-17-3-1-2-4-18(17)22(29)26(21)14-25-10-7-23-20(25)16-5-8-24(9-6-16)12-15-11-19(27(30)31)32-13-15/h1-4,7,10-11,13,16H,5-6,8-9,12,14H2