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

Systemtic Name: N-(3-cyanophenyl)-4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-pyrimidin-4-yl]piperazine-1-carboxamide Openeye Name: N-(3-cyanophenyl)-4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-pyrimidin-4-yl]piperazine-1-carboxamide CAS Name: N-(3-cyanophenyl)-4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-4-pyrimidinyl]-1-piperazinecarboxamide IUPAC Name: N-(3-cyanophenyl)-4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methylpyrimidin-4-yl]piperazine-1-carboxamide Traditional Name: N-(3-cyanophenyl)-4-[6-ethyl-5-(3-fluorobenzyl)-2-methyl-pyrimidin-4-yl]piperazine-1-carboxamide Formula: C26H27FN6O MolecularWeight: 458.530583

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)NC3=CC=CC(=C3)C#N)CC4=CC(=CC=C4)F

Isomeric SMILES

CCC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)NC3=CC=CC(=C3)C#N)CC4=CC(=CC=C4)F

InChI

InChI=1S/C26H27FN6O/c1-3-24-23(16-19-6-4-8-21(27)14-19)25(30-18(2)29-24)32-10-12-33(13-11-32)26(34)31-22-9-5-7-20(15-22)17-28/h4-9,14-15H,3,10-13,16H2,1-2H3,(H,31,34)