[4-[(2-chloranyl-4-fluoranyl-phenyl)methyl]piperazin-1-yl]-(3-methoxy-4-nitro-1H-pyrazol-5-yl)methanone

Systemtic Name: [4-[(2-chloranyl-4-fluoranyl-phenyl)methyl]piperazin-1-yl]-(3-methoxy-4-nitro-1H-pyrazol-5-yl)methanone Openeye Name: [4-[(2-chloro-4-fluoro-phenyl)methyl]piperazin-1-yl]-(3-methoxy-4-nitro-1H-pyrazol-5-yl)methanone CAS Name: [4-[(2-chloro-4-fluorophenyl)methyl]-1-piperazinyl]-(3-methoxy-4-nitro-1H-pyrazol-5-yl)methanone IUPAC Name: [4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-(3-methoxy-4-nitro-1H-pyrazol-5-yl)methanone Traditional Name: [4-(2-chloro-4-fluoro-benzyl)piperazino]-(3-methoxy-4-nitro-1H-pyrazol-5-yl)methanone Formula: C16H17ClFN5O4 MolecularWeight: 397.788683

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NNC(=C1[N+](=O)[O-])C(=O)N2CCN(CC2)CC3=C(C=C(C=C3)F)Cl

Isomeric SMILES

COC1=NNC(=C1[N+](=O)[O-])C(=O)N2CCN(CC2)CC3=C(C=C(C=C3)F)Cl

InChI

InChI=1S/C16H17ClFN5O4/c1-27-15-14(23(25)26)13(19-20-15)16(24)22-6-4-21(5-7-22)9-10-2-3-11(18)8-12(10)17/h2-3,8H,4-7,9H2,1H3,(H,19,20)