4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]butan-1-one

Systemtic Name: 4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]butan-1-one Openeye Name: 4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]butan-1-one CAS Name: 4-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-[4-(4-fluorophenyl)-1-piperazinyl]-1-butanone IUPAC Name: 4-(3,5-dimethyl-4-nitropyrazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]butan-1-one Traditional Name: 4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-[4-(4-fluorophenyl)piperazino]butan-1-one Formula: C19H24FN5O3 MolecularWeight: 389.423963

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCCC(=O)N2CCN(CC2)C3=CC=C(C=C3)F)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CCCC(=O)N2CCN(CC2)C3=CC=C(C=C3)F)C)[N+](=O)[O-]

InChI

InChI=1S/C19H24FN5O3/c1-14-19(25(27)28)15(2)24(21-14)9-3-4-18(26)23-12-10-22(11-13-23)17-7-5-16(20)6-8-17/h5-8H,3-4,9-13H2,1-2H3