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

Systemtic Name: 1,5-dimethyl-4-[(4-nitro-7-piperidin-1-yl-2,1,3-benzoxadiazol-5-yl)amino]-2-phenyl-pyrazol-3-one Openeye Name: 1,5-dimethyl-4-[[4-nitro-7-(1-piperidyl)-2,1,3-benzoxadiazol-5-yl]amino]-2-phenyl-pyrazol-3-one CAS Name: 1,5-dimethyl-4-[[4-nitro-7-(1-piperidinyl)-2,1,3-benzoxadiazol-5-yl]amino]-2-phenyl-3-pyrazolone IUPAC Name: 1,5-dimethyl-4-[(4-nitro-7-piperidin-1-yl-2,1,3-benzoxadiazol-5-yl)amino]-2-phenylpyrazol-3-one Traditional Name: 1,5-dimethyl-4-[(4-nitro-7-piperidino-benzofurazan-5-yl)amino]-2-phenyl-3-pyrazolin-3-one Formula: C22H23N7O4 MolecularWeight: 449.46252

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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)N5CCCCC5)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC3=C(C4=NON=C4C(=C3)N5CCCCC5)[N+](=O)[O-]

InChI

InChI=1S/C22H23N7O4/c1-14-18(22(30)28(26(14)2)15-9-5-3-6-10-15)23-16-13-17(27-11-7-4-8-12-27)19-20(25-33-24-19)21(16)29(31)32/h3,5-6,9-10,13,23H,4,7-8,11-12H2,1-2H3