7-[4-(3-chlorophenyl)piperazin-1-yl]-5-morpholin-4-yl-4-nitro-2,1,3-benzoxadiazole

Systemtic Name: 7-[4-(3-chlorophenyl)piperazin-1-yl]-5-morpholin-4-yl-4-nitro-2,1,3-benzoxadiazole Openeye Name: 7-[4-(3-chlorophenyl)piperazin-1-yl]-5-morpholino-4-nitro-2,1,3-benzoxadiazole CAS Name: 7-[4-(3-chlorophenyl)-1-piperazinyl]-5-(4-morpholinyl)-4-nitro-2,1,3-benzoxadiazole IUPAC Name: 7-[4-(3-chlorophenyl)piperazin-1-yl]-5-morpholin-4-yl-4-nitro-2,1,3-benzoxadiazole Traditional Name: 7-[4-(3-chlorophenyl)piperazino]-5-morpholino-4-nitro-benzofurazan Formula: C20H21ClN6O4 MolecularWeight: 444.87154

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=CC=C2)Cl)C3=CC(=C(C4=NON=C34)[N+](=O)[O-])N5CCOCC5

Isomeric SMILES

C1CN(CCN1C2=CC(=CC=C2)Cl)C3=CC(=C(C4=NON=C34)[N+](=O)[O-])N5CCOCC5

InChI

InChI=1S/C20H21ClN6O4/c21-14-2-1-3-15(12-14)24-4-6-25(7-5-24)16-13-17(26-8-10-30-11-9-26)20(27(28)29)19-18(16)22-31-23-19/h1-3,12-13H,4-11H2