propan-2-yl 1-(4-azanyl-1,2,5-oxadiazol-3-yl)-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,2,3-triazole-4-carboxylate

Systemtic Name: propan-2-yl 1-(4-azanyl-1,2,5-oxadiazol-3-yl)-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,2,3-triazole-4-carboxylate Openeye Name: isopropyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[[4-(2-pyridyl)piperazin-1-yl]methyl]triazole-4-carboxylate CAS Name: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[[4-(2-pyridinyl)-1-piperazinyl]methyl]-4-triazolecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]triazole-4-carboxylate Traditional Name: 1-(4-aminofurazan-3-yl)-5-[[4-(2-pyridyl)piperazino]methyl]triazole-4-carboxylic acid isopropyl ester Formula: C18H23N9O3 MolecularWeight: 413.43372

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=C(N(N=N1)C2=NON=C2N)CN3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

CC(C)OC(=O)C1=C(N(N=N1)C2=NON=C2N)CN3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C18H23N9O3/c1-12(2)29-18(28)15-13(27(24-21-15)17-16(19)22-30-23-17)11-25-7-9-26(10-8-25)14-5-3-4-6-20-14/h3-6,12H,7-11H2,1-2H3,(H2,19,22)