2-[1-[4-(8-nitroisoquinolin-5-yl)piperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole

Systemtic Name: 2-[1-[4-(8-nitroisoquinolin-5-yl)piperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole Openeye Name: 2-[1-[4-(8-nitro-5-isoquinolyl)piperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole CAS Name: 2-[1-[4-(8-nitro-5-isoquinolinyl)-1-piperazinyl]ethyl]-5-phenyl-1,3,4-oxadiazole IUPAC Name: 2-[1-[4-(8-nitroisoquinolin-5-yl)piperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole Traditional Name: 2-[1-[4-(8-nitro-5-isoquinolyl)piperazino]ethyl]-5-phenyl-1,3,4-oxadiazole Formula: C23H22N6O3 MolecularWeight: 430.45918

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NN=C(O1)C2=CC=CC=C2)N3CCN(CC3)C4=C5C=CN=CC5=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C1=NN=C(O1)C2=CC=CC=C2)N3CCN(CC3)C4=C5C=CN=CC5=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H22N6O3/c1-16(22-25-26-23(32-22)17-5-3-2-4-6-17)27-11-13-28(14-12-27)20-7-8-21(29(30)31)19-15-24-10-9-18(19)20/h2-10,15-16H,11-14H2,1H3