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

Systemtic Name: 7-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-morpholin-4-yl-4-nitro-2,1,3-benzoxadiazole Openeye Name: 7-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-morpholino-4-nitro-2,1,3-benzoxadiazole CAS Name: 7-[4-(2,3-dimethylphenyl)-1-piperazinyl]-5-(4-morpholinyl)-4-nitro-2,1,3-benzoxadiazole IUPAC Name: 7-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-morpholin-4-yl-4-nitro-2,1,3-benzoxadiazole Traditional Name: 7-[4-(2,3-dimethylphenyl)piperazino]-5-morpholino-4-nitro-benzofurazan Formula: C22H26N6O4 MolecularWeight: 438.47964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C3=CC(=C(C4=NON=C34)[N+](=O)[O-])N5CCOCC5)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C3=CC(=C(C4=NON=C34)[N+](=O)[O-])N5CCOCC5)C

InChI

InChI=1S/C22H26N6O4/c1-15-4-3-5-17(16(15)2)25-6-8-26(9-7-25)18-14-19(27-10-12-31-13-11-27)22(28(29)30)21-20(18)23-32-24-21/h3-5,14H,6-13H2,1-2H3