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

Systemtic Name: N-butyl-4-[5-ethyl-2-(3-fluorophenyl)-6-methyl-pyrimidin-4-yl]piperazine-1-carboxamide Openeye Name: N-butyl-4-[5-ethyl-2-(3-fluorophenyl)-6-methyl-pyrimidin-4-yl]piperazine-1-carboxamide CAS Name: N-butyl-4-[5-ethyl-2-(3-fluorophenyl)-6-methyl-4-pyrimidinyl]-1-piperazinecarboxamide IUPAC Name: N-butyl-4-[5-ethyl-2-(3-fluorophenyl)-6-methylpyrimidin-4-yl]piperazine-1-carboxamide Traditional Name: N-butyl-4-[5-ethyl-2-(3-fluorophenyl)-6-methyl-pyrimidin-4-yl]piperazine-1-carboxamide Formula: C22H30FN5O MolecularWeight: 399.504903

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)N1CCN(CC1)C2=NC(=NC(=C2CC)C)C3=CC(=CC=C3)F

Isomeric SMILES

CCCCNC(=O)N1CCN(CC1)C2=NC(=NC(=C2CC)C)C3=CC(=CC=C3)F

InChI

InChI=1S/C22H30FN5O/c1-4-6-10-24-22(29)28-13-11-27(12-14-28)21-19(5-2)16(3)25-20(26-21)17-8-7-9-18(23)15-17/h7-9,15H,4-6,10-14H2,1-3H3,(H,24,29)