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

Systemtic Name: N-(3-chlorophenyl)-4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-pyrimidin-4-yl]piperazine-1-carboxamide Openeye Name: N-(3-chlorophenyl)-4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-pyrimidin-4-yl]piperazine-1-carboxamide CAS Name: N-(3-chlorophenyl)-4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-4-pyrimidinyl]-1-piperazinecarboxamide IUPAC Name: N-(3-chlorophenyl)-4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methylpyrimidin-4-yl]piperazine-1-carboxamide Traditional Name: N-(3-chlorophenyl)-4-[6-ethyl-5-(3-fluorobenzyl)-2-methyl-pyrimidin-4-yl]piperazine-1-carboxamide Formula: C25H27ClFN5O MolecularWeight: 467.966183

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27ClFN5O/c1-3-23-22(15-18-6-4-8-20(27)14-18)24(29-17(2)28-23)31-10-12-32(13-11-31)25(33)30-21-9-5-7-19(26)16-21/h4-9,14,16H,3,10-13,15H2,1-2H3,(H,30,33)