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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)NC(C)C)CC3=CC=C(C=C3)F

Isomeric SMILES

CCC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)NC(C)C)CC3=CC=C(C=C3)F

InChI

InChI=1S/C22H30FN5O/c1-5-20-19(14-17-6-8-18(23)9-7-17)21(26-16(4)25-20)27-10-12-28(13-11-27)22(29)24-15(2)3/h6-9,15H,5,10-14H2,1-4H3,(H,24,29)