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

Systemtic Name: 1,5-dimethyl-4-[[7-[(3S)-3-methylpiperidin-1-yl]-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]-2-phenyl-pyrazol-3-one Openeye Name: 1,5-dimethyl-4-[[7-[(3S)-3-methyl-1-piperidyl]-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]-2-phenyl-pyrazol-3-one CAS Name: 1,5-dimethyl-4-[[7-[(3S)-3-methyl-1-piperidinyl]-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]-2-phenyl-3-pyrazolone IUPAC Name: 1,5-dimethyl-4-[[7-[(3S)-3-methylpiperidin-1-yl]-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]-2-phenylpyrazol-3-one Traditional Name: 1,5-dimethyl-4-[[7-[(3S)-3-methylpiperidino]-4-nitro-benzofurazan-5-yl]amino]-2-phenyl-3-pyrazolin-3-one Formula: C23H25N7O4 MolecularWeight: 463.4891

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=CC(=C(C3=NON=C23)[N+](=O)[O-])NC4=C(N(N(C4=O)C5=CC=CC=C5)C)C

Isomeric SMILES

C[C@H]1CCCN(C1)C2=CC(=C(C3=NON=C23)[N+](=O)[O-])NC4=C(N(N(C4=O)C5=CC=CC=C5)C)C

InChI

InChI=1S/C23H25N7O4/c1-14-8-7-11-28(13-14)18-12-17(22(30(32)33)21-20(18)25-34-26-21)24-19-15(2)27(3)29(23(19)31)16-9-5-4-6-10-16/h4-6,9-10,12,14,24H,7-8,11,13H2,1-3H3/t14-/m0/s1