1-[[2-[1-[(5-nitrothiophen-3-yl)methyl]piperidin-4-yl]imidazol-1-yl]methyl]benzotriazole

Systemtic Name: 1-[[2-[1-[(5-nitrothiophen-3-yl)methyl]piperidin-4-yl]imidazol-1-yl]methyl]benzotriazole Openeye Name: 1-[[2-[1-[(5-nitro-3-thienyl)methyl]-4-piperidyl]imidazol-1-yl]methyl]benzotriazole CAS Name: 1-[[2-[1-[(5-nitro-3-thiophenyl)methyl]-4-piperidinyl]-1-imidazolyl]methyl]benzotriazole IUPAC Name: 1-[[2-[1-[(5-nitrothiophen-3-yl)methyl]piperidin-4-yl]imidazol-1-yl]methyl]benzotriazole Traditional Name: 1-[[2-[1-[(5-nitro-3-thienyl)methyl]-4-piperidyl]imidazol-1-yl]methyl]benzotriazole Formula: C20H21N7O2S MolecularWeight: 423.49144

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC=CN2CN3C4=CC=CC=C4N=N3)CC5=CSC(=C5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C2=NC=CN2CN3C4=CC=CC=C4N=N3)CC5=CSC(=C5)[N+](=O)[O-]

InChI

InChI=1S/C20H21N7O2S/c28-27(29)19-11-15(13-30-19)12-24-8-5-16(6-9-24)20-21-7-10-25(20)14-26-18-4-2-1-3-17(18)22-23-26/h1-4,7,10-11,13,16H,5-6,8-9,12,14H2