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

Systemtic Name: N-(2-bromophenyl)-4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-pyrimidin-4-yl]piperazine-1-carboxamide Openeye Name: N-(2-bromophenyl)-4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-pyrimidin-4-yl]piperazine-1-carboxamide CAS Name: N-(2-bromophenyl)-4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-4-pyrimidinyl]-1-piperazinecarboxamide IUPAC Name: N-(2-bromophenyl)-4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methylpyrimidin-4-yl]piperazine-1-carboxamide Traditional Name: N-(2-bromophenyl)-4-[6-ethyl-5-(3-fluorobenzyl)-2-methyl-pyrimidin-4-yl]piperazine-1-carboxamide Formula: C25H27BrFN5O MolecularWeight: 512.417183

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)NC3=CC=CC=C3Br)CC4=CC(=CC=C4)F

Isomeric SMILES

CCC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)NC3=CC=CC=C3Br)CC4=CC(=CC=C4)F

InChI

InChI=1S/C25H27BrFN5O/c1-3-22-20(16-18-7-6-8-19(27)15-18)24(29-17(2)28-22)31-11-13-32(14-12-31)25(33)30-23-10-5-4-9-21(23)26/h4-10,15H,3,11-14,16H2,1-2H3,(H,30,33)