4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-pyrimidin-4-yl]-N-(4-nitrophenyl)piperazine-1-carboxamide

Systemtic Name: 4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-pyrimidin-4-yl]-N-(4-nitrophenyl)piperazine-1-carboxamide Openeye Name: 4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-pyrimidin-4-yl]-N-(4-nitrophenyl)piperazine-1-carboxamide CAS Name: 4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-4-pyrimidinyl]-N-(4-nitrophenyl)-1-piperazinecarboxamide IUPAC Name: 4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methylpyrimidin-4-yl]-N-(4-nitrophenyl)piperazine-1-carboxamide Traditional Name: 4-[6-ethyl-5-(3-fluorobenzyl)-2-methyl-pyrimidin-4-yl]-N-(4-nitrophenyl)piperazine-1-carboxamide Formula: C25H27FN6O3 MolecularWeight: 478.518683

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-])CC4=CC(=CC=C4)F

Isomeric SMILES

CCC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-])CC4=CC(=CC=C4)F

InChI

InChI=1S/C25H27FN6O3/c1-3-23-22(16-18-5-4-6-19(26)15-18)24(28-17(2)27-23)30-11-13-31(14-12-30)25(33)29-20-7-9-21(10-8-20)32(34)35/h4-10,15H,3,11-14,16H2,1-2H3,(H,29,33)