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

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

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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)N5CCCCCC5)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC3=C(C4=NON=C4C(=C3)N5CCCCCC5)[N+](=O)[O-]

InChI

InChI=1S/C23H25N7O4/c1-15-19(23(31)29(27(15)2)16-10-6-5-7-11-16)24-17-14-18(28-12-8-3-4-9-13-28)20-21(26-34-25-20)22(17)30(32)33/h5-7,10-11,14,24H,3-4,8-9,12-13H2,1-2H3