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

Systemtic Name: N-(3-ethylphenyl)-4-[5-[(2-fluorophenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]piperazine-1-carboxamide Openeye Name: N-(3-ethylphenyl)-4-[5-[(2-fluorophenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]piperazine-1-carboxamide CAS Name: N-(3-ethylphenyl)-4-[5-[(2-fluorophenyl)methyl]-2,6-dimethyl-4-pyrimidinyl]-1-piperazinecarboxamide IUPAC Name: N-(3-ethylphenyl)-4-[5-[(2-fluorophenyl)methyl]-2,6-dimethylpyrimidin-4-yl]piperazine-1-carboxamide Traditional Name: N-(3-ethylphenyl)-4-[5-(2-fluorobenzyl)-2,6-dimethyl-pyrimidin-4-yl]piperazine-1-carboxamide Formula: C26H30FN5O MolecularWeight: 447.547703

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=O)N2CCN(CC2)C3=NC(=NC(=C3CC4=CC=CC=C4F)C)C

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=O)N2CCN(CC2)C3=NC(=NC(=C3CC4=CC=CC=C4F)C)C

InChI

InChI=1S/C26H30FN5O/c1-4-20-8-7-10-22(16-20)30-26(33)32-14-12-31(13-15-32)25-23(18(2)28-19(3)29-25)17-21-9-5-6-11-24(21)27/h5-11,16H,4,12-15,17H2,1-3H3,(H,30,33)