1,5-dimethyl-4-[(7-morpholin-4-yl-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]-2-phenyl-pyrazol-3-one

Systemtic Name: 1,5-dimethyl-4-[(7-morpholin-4-yl-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]-2-phenyl-pyrazol-3-one Openeye Name: 1,5-dimethyl-4-[(7-morpholino-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]-2-phenyl-pyrazol-3-one CAS Name: 1,5-dimethyl-4-[[7-(4-morpholinyl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]-2-phenyl-3-pyrazolone IUPAC Name: 1,5-dimethyl-4-[(7-morpholin-4-yl-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]-2-phenylpyrazol-3-one Traditional Name: 1,5-dimethyl-4-[(7-morpholino-4-nitro-benzofurazan-5-yl)amino]-2-phenyl-3-pyrazolin-3-one Formula: C21H21N7O5 MolecularWeight: 451.43534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC3=C(C4=NON=C4C(=C3)N5CCOCC5)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC3=C(C4=NON=C4C(=C3)N5CCOCC5)[N+](=O)[O-]

InChI

InChI=1S/C21H21N7O5/c1-13-17(21(29)27(25(13)2)14-6-4-3-5-7-14)22-15-12-16(26-8-10-32-11-9-26)18-19(24-33-23-18)20(15)28(30)31/h3-7,12,22H,8-11H2,1-2H3