3-[2-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]ethoxy]-1,2,4-oxadiazol-5-amine

Systemtic Name: 3-[2-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]ethoxy]-1,2,4-oxadiazol-5-amine Openeye Name: 3-[2-[4-(5-nitro-8-quinolyl)piperazin-1-yl]ethoxy]-1,2,4-oxadiazol-5-amine CAS Name: 3-[2-[4-(5-nitro-8-quinolinyl)-1-piperazinyl]ethoxy]-1,2,4-oxadiazol-5-amine IUPAC Name: 3-[2-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]ethoxy]-1,2,4-oxadiazol-5-amine Traditional Name: [3-[2-[4-(5-nitro-8-quinolyl)piperazino]ethoxy]-1,2,4-oxadiazol-5-yl]amine Formula: C17H19N7O4 MolecularWeight: 385.37726

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCOC2=NOC(=N2)N)C3=C4C(=C(C=C3)[N+](=O)[O-])C=CC=N4

Isomeric SMILES

C1CN(CCN1CCOC2=NOC(=N2)N)C3=C4C(=C(C=C3)[N+](=O)[O-])C=CC=N4

InChI

InChI=1S/C17H19N7O4/c18-16-20-17(21-28-16)27-11-10-22-6-8-23(9-7-22)14-4-3-13(24(25)26)12-2-1-5-19-15(12)14/h1-5H,6-11H2,(H2,18,20,21)