3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-methyl-propan-1-one

Systemtic Name: 3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-methyl-propan-1-one Openeye Name: 3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-methyl-propan-1-one CAS Name: 3-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-[4-[(2-fluorophenyl)methyl]-1-piperazinyl]-2-methyl-1-propanone IUPAC Name: 3-(3,5-dimethyl-4-nitropyrazol-1-yl)-1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-methylpropan-1-one Traditional Name: 3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-[4-(2-fluorobenzyl)piperazino]-2-methyl-propan-1-one Formula: C20H26FN5O3 MolecularWeight: 403.450543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(C)C(=O)N2CCN(CC2)CC3=CC=CC=C3F)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(C)C(=O)N2CCN(CC2)CC3=CC=CC=C3F)C)[N+](=O)[O-]

InChI

InChI=1S/C20H26FN5O3/c1-14(12-25-16(3)19(26(28)29)15(2)22-25)20(27)24-10-8-23(9-11-24)13-17-6-4-5-7-18(17)21/h4-7,14H,8-13H2,1-3H3