[4-[2-(3-fluorophenyl)-6-methyl-pyrimidin-4-yl]piperazin-1-yl]-(3-nitrophenyl)methanone

Systemtic Name: [4-[2-(3-fluorophenyl)-6-methyl-pyrimidin-4-yl]piperazin-1-yl]-(3-nitrophenyl)methanone Openeye Name: [4-[2-(3-fluorophenyl)-6-methyl-pyrimidin-4-yl]piperazin-1-yl]-(3-nitrophenyl)methanone CAS Name: [4-[2-(3-fluorophenyl)-6-methyl-4-pyrimidinyl]-1-piperazinyl]-(3-nitrophenyl)methanone IUPAC Name: [4-[2-(3-fluorophenyl)-6-methylpyrimidin-4-yl]piperazin-1-yl]-(3-nitrophenyl)methanone Traditional Name: [4-[2-(3-fluorophenyl)-6-methyl-pyrimidin-4-yl]piperazino]-(3-nitrophenyl)methanone Formula: C22H20FN5O3 MolecularWeight: 421.424303

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C2=CC(=CC=C2)F)N3CCN(CC3)C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NC(=N1)C2=CC(=CC=C2)F)N3CCN(CC3)C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H20FN5O3/c1-15-12-20(25-21(24-15)16-4-2-6-18(23)13-16)26-8-10-27(11-9-26)22(29)17-5-3-7-19(14-17)28(30)31/h2-7,12-14H,8-11H2,1H3