3-(3-nitrophenyl)-5-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole

Systemtic Name: 3-(3-nitrophenyl)-5-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole Openeye Name: 3-(3-nitrophenyl)-5-[[4-(2-pyridylmethyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole CAS Name: 3-(3-nitrophenyl)-5-[[4-(2-pyridinylmethyl)-1-piperazinyl]methyl]-1,2,4-oxadiazole IUPAC Name: 3-(3-nitrophenyl)-5-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole Traditional Name: 3-(3-nitrophenyl)-5-[[4-(2-pyridylmethyl)piperazino]methyl]-1,2,4-oxadiazole Formula: C19H20N6O3 MolecularWeight: 380.4005

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=N2)CC3=NC(=NO3)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=N2)CC3=NC(=NO3)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H20N6O3/c26-25(27)17-6-3-4-15(12-17)19-21-18(28-22-19)14-24-10-8-23(9-11-24)13-16-5-1-2-7-20-16/h1-7,12H,8-11,13-14H2