1-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-1-yl]-2-methyl-3-(4-nitropyrazol-1-yl)propan-1-one

Systemtic Name: 1-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-1-yl]-2-methyl-3-(4-nitropyrazol-1-yl)propan-1-one Openeye Name: 1-[4-[(2-chloro-6-fluoro-phenyl)methyl]piperazin-1-yl]-2-methyl-3-(4-nitropyrazol-1-yl)propan-1-one CAS Name: 1-[4-[(2-chloro-6-fluorophenyl)methyl]-1-piperazinyl]-2-methyl-3-(4-nitro-1-pyrazolyl)-1-propanone IUPAC Name: 1-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-2-methyl-3-(4-nitropyrazol-1-yl)propan-1-one Traditional Name: 1-[4-(2-chloro-6-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=CC=C3Cl)F

Isomeric SMILES

CC(CN1C=C(C=N1)[N+](=O)[O-])C(=O)N2CCN(CC2)CC3=C(C=CC=C3Cl)F

InChI

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