1-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-1-yl]-2-(5-methyl-3-nitro-pyrazol-1-yl)butan-1-one

Systemtic Name: 1-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-1-yl]-2-(5-methyl-3-nitro-pyrazol-1-yl)butan-1-one Openeye Name: 1-[4-[(2-chloro-6-fluoro-phenyl)methyl]piperazin-1-yl]-2-(5-methyl-3-nitro-pyrazol-1-yl)butan-1-one CAS Name: 1-[4-[(2-chloro-6-fluorophenyl)methyl]-1-piperazinyl]-2-(5-methyl-3-nitro-1-pyrazolyl)-1-butanone IUPAC Name: 1-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-2-(5-methyl-3-nitropyrazol-1-yl)butan-1-one Traditional Name: 1-[4-(2-chloro-6-fluoro-benzyl)piperazino]-2-(5-methyl-3-nitro-pyrazol-1-yl)butan-1-one Formula: C19H23ClFN5O3 MolecularWeight: 423.869023

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1CCN(CC1)CC2=C(C=CC=C2Cl)F)N3C(=CC(=N3)[N+](=O)[O-])C

Isomeric SMILES

CCC(C(=O)N1CCN(CC1)CC2=C(C=CC=C2Cl)F)N3C(=CC(=N3)[N+](=O)[O-])C

InChI

InChI=1S/C19H23ClFN5O3/c1-3-17(25-13(2)11-18(22-25)26(28)29)19(27)24-9-7-23(8-10-24)12-14-15(20)5-4-6-16(14)21/h4-6,11,17H,3,7-10,12H2,1-2H3