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

Systemtic Name: N-(2,3-dimethylphenyl)-4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-pyrimidin-4-yl]piperazine-1-carboxamide Openeye Name: N-(2,3-dimethylphenyl)-4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-pyrimidin-4-yl]piperazine-1-carboxamide CAS Name: N-(2,3-dimethylphenyl)-4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-4-pyrimidinyl]-1-piperazinecarboxamide IUPAC Name: N-(2,3-dimethylphenyl)-4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methylpyrimidin-4-yl]piperazine-1-carboxamide Traditional Name: N-(2,3-dimethylphenyl)-4-[6-ethyl-5-(3-fluorobenzyl)-2-methyl-pyrimidin-4-yl]piperazine-1-carboxamide Formula: C27H32FN5O MolecularWeight: 461.574283

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)NC3=CC=CC(=C3C)C)CC4=CC(=CC=C4)F

Isomeric SMILES

CCC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)NC3=CC=CC(=C3C)C)CC4=CC(=CC=C4)F

InChI

InChI=1S/C27H32FN5O/c1-5-24-23(17-21-9-7-10-22(28)16-21)26(30-20(4)29-24)32-12-14-33(15-13-32)27(34)31-25-11-6-8-18(2)19(25)3/h6-11,16H,5,12-15,17H2,1-4H3,(H,31,34)