1-[4-[(2-chloranyl-4-fluoranyl-phenyl)methyl]piperazin-1-yl]-2-methyl-3-(4-nitropyrazol-1-yl)propan-1-one

Systemtic Name: 1-[4-[(2-chloranyl-4-fluoranyl-phenyl)methyl]piperazin-1-yl]-2-methyl-3-(4-nitropyrazol-1-yl)propan-1-one Openeye Name: 1-[4-[(2-chloro-4-fluoro-phenyl)methyl]piperazin-1-yl]-2-methyl-3-(4-nitropyrazol-1-yl)propan-1-one CAS Name: 1-[4-[(2-chloro-4-fluorophenyl)methyl]-1-piperazinyl]-2-methyl-3-(4-nitro-1-pyrazolyl)-1-propanone IUPAC Name: 1-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-2-methyl-3-(4-nitropyrazol-1-yl)propan-1-one Traditional Name: 1-[4-(2-chloro-4-fluoro-benzyl)piperazino]-2-methyl-3-(4-nitropyrazol-1-yl)propan-1-one Formula: C18H21ClFN5O3 MolecularWeight: 409.842443

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C=C(C=N1)[N+](=O)[O-])C(=O)N2CCN(CC2)CC3=C(C=C(C=C3)F)Cl

Isomeric SMILES

CC(CN1C=C(C=N1)[N+](=O)[O-])C(=O)N2CCN(CC2)CC3=C(C=C(C=C3)F)Cl

InChI

InChI=1S/C18H21ClFN5O3/c1-13(10-24-12-16(9-21-24)25(27)28)18(26)23-6-4-22(5-7-23)11-14-2-3-15(20)8-17(14)19/h2-3,8-9,12-13H,4-7,10-11H2,1H3