3-(4-azanyl-1,2,5-oxadiazol-3-yl)-N-[(E)-1-[4-(2-azanyl-2-oxidanylidene-ethoxy)phenyl]ethylideneamino]-5-(piperidin-1-ylmethyl)-1,2,3-triazole-4-carboxamide

Systemtic Name: 3-(4-azanyl-1,2,5-oxadiazol-3-yl)-N-[(E)-1-[4-(2-azanyl-2-oxidanylidene-ethoxy)phenyl]ethylideneamino]-5-(piperidin-1-ylmethyl)-1,2,3-triazole-4-carboxamide Openeye Name: 3-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-1-[4-(2-amino-2-oxo-ethoxy)phenyl]ethylideneamino]-5-(1-piperidylmethyl)triazole-4-carboxamide CAS Name: 3-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-1-[4-(2-amino-2-oxoethoxy)phenyl]ethylideneamino]-5-(1-piperidinylmethyl)-4-triazolecarboxamide IUPAC Name: 3-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-1-[4-(2-amino-2-oxoethoxy)phenyl]ethylideneamino]-5-(piperidin-1-ylmethyl)triazole-4-carboxamide Traditional Name: 3-(4-aminofurazan-3-yl)-N-[(E)-1-[4-(2-amino-2-keto-ethoxy)phenyl]ethylideneamino]-5-(piperidinomethyl)triazole-4-carboxamide Formula: C21H26N10O4 MolecularWeight: 482.49574

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1=C(N=NN1C2=NON=C2N)CN3CCCCC3)C4=CC=C(C=C4)OCC(=O)N

Isomeric SMILES

C/C(=N\NC(=O)C1=C(N=NN1C2=NON=C2N)CN3CCCCC3)/C4=CC=C(C=C4)OCC(=O)N

InChI

InChI=1S/C21H26N10O4/c1-13(14-5-7-15(8-6-14)34-12-17(22)32)24-26-21(33)18-16(11-30-9-3-2-4-10-30)25-29-31(18)20-19(23)27-35-28-20/h5-8H,2-4,9-12H2,1H3,(H2,22,32)(H2,23,27)(H,26,33)/b24-13+