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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)NC(C)(C)C)CC3=CC(=CC=C3)F

Isomeric SMILES

CC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)NC(C)(C)C)CC3=CC(=CC=C3)F

InChI

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