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

Systemtic Name: 1-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-1-yl]-2-(4-nitropyrazol-1-yl)butan-1-one Openeye Name: 1-[4-[(2-chloro-6-fluoro-phenyl)methyl]piperazin-1-yl]-2-(4-nitropyrazol-1-yl)butan-1-one CAS Name: 1-[4-[(2-chloro-6-fluorophenyl)methyl]-1-piperazinyl]-2-(4-nitro-1-pyrazolyl)-1-butanone IUPAC Name: 1-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-2-(4-nitropyrazol-1-yl)butan-1-one Traditional Name: 1-[4-(2-chloro-6-fluoro-benzyl)piperazino]-2-(4-nitropyrazol-1-yl)butan-1-one Formula: C18H21ClFN5O3 MolecularWeight: 409.842443

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21ClFN5O3/c1-2-17(24-11-13(10-21-24)25(27)28)18(26)23-8-6-22(7-9-23)12-14-15(19)4-3-5-16(14)20/h3-5,10-11,17H,2,6-9,12H2,1H3