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

Systemtic Name: [4-[2-(3-fluorophenyl)-6-methyl-pyrimidin-4-yl]piperazin-1-yl]-(4-methyl-3-nitro-phenyl)methanone Openeye Name: [4-[2-(3-fluorophenyl)-6-methyl-pyrimidin-4-yl]piperazin-1-yl]-(4-methyl-3-nitro-phenyl)methanone CAS Name: [4-[2-(3-fluorophenyl)-6-methyl-4-pyrimidinyl]-1-piperazinyl]-(4-methyl-3-nitrophenyl)methanone IUPAC Name: [4-[2-(3-fluorophenyl)-6-methylpyrimidin-4-yl]piperazin-1-yl]-(4-methyl-3-nitrophenyl)methanone Traditional Name: [4-[2-(3-fluorophenyl)-6-methyl-pyrimidin-4-yl]piperazino]-(4-methyl-3-nitro-phenyl)methanone Formula: C23H22FN5O3 MolecularWeight: 435.450883

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=NC(=NC(=C3)C)C4=CC(=CC=C4)F)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=NC(=NC(=C3)C)C4=CC(=CC=C4)F)[N+](=O)[O-]

InChI

InChI=1S/C23H22FN5O3/c1-15-6-7-18(14-20(15)29(31)32)23(30)28-10-8-27(9-11-28)21-12-16(2)25-22(26-21)17-4-3-5-19(24)13-17/h3-7,12-14H,8-11H2,1-2H3