(3-fluoranyl-4-methyl-5-nitro-phenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Systemtic Name: (3-fluoranyl-4-methyl-5-nitro-phenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: (3-fluoro-4-methyl-5-nitro-phenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: (3-fluoro-4-methyl-5-nitrophenyl)-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: (3-fluoro-4-methyl-5-nitrophenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: (3-fluoro-4-methyl-5-nitro-phenyl)-[4-(2-pyrimidyl)piperazino]methanone Formula: C16H16FN5O3 MolecularWeight: 345.328343

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1F)C(=O)N2CCN(CC2)C3=NC=CC=N3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1F)C(=O)N2CCN(CC2)C3=NC=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C16H16FN5O3/c1-11-13(17)9-12(10-14(11)22(24)25)15(23)20-5-7-21(8-6-20)16-18-3-2-4-19-16/h2-4,9-10H,5-8H2,1H3