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

Systemtic Name: 5-morpholin-4-yl-4-nitro-7-[4-(phenylmethyl)piperidin-1-yl]-2,1,3-benzoxadiazole Openeye Name: 7-(4-benzyl-1-piperidyl)-5-morpholino-4-nitro-2,1,3-benzoxadiazole CAS Name: 5-(4-morpholinyl)-4-nitro-7-[4-(phenylmethyl)-1-piperidinyl]-2,1,3-benzoxadiazole IUPAC Name: 7-(4-benzylpiperidin-1-yl)-5-morpholin-4-yl-4-nitro-2,1,3-benzoxadiazole Traditional Name: 7-(4-benzylpiperidino)-5-morpholino-4-nitro-benzofurazan Formula: C22H25N5O4 MolecularWeight: 423.465

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C3=CC(=C(C4=NON=C34)[N+](=O)[O-])N5CCOCC5

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C3=CC(=C(C4=NON=C34)[N+](=O)[O-])N5CCOCC5

InChI

InChI=1S/C22H25N5O4/c28-27(29)22-19(26-10-12-30-13-11-26)15-18(20-21(22)24-31-23-20)25-8-6-17(7-9-25)14-16-4-2-1-3-5-16/h1-5,15,17H,6-14H2