N-(3-chloranyl-4-fluoranyl-phenyl)-4-[6-ethyl-2-methyl-5-(phenylmethyl)pyrimidin-4-yl]piperazine-1-carboxamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-4-[6-ethyl-2-methyl-5-(phenylmethyl)pyrimidin-4-yl]piperazine-1-carboxamide Openeye Name: 4-(5-benzyl-6-ethyl-2-methyl-pyrimidin-4-yl)-N-(3-chloro-4-fluoro-phenyl)piperazine-1-carboxamide CAS Name: N-(3-chloro-4-fluorophenyl)-4-[6-ethyl-2-methyl-5-(phenylmethyl)-4-pyrimidinyl]-1-piperazinecarboxamide IUPAC Name: 4-(5-benzyl-6-ethyl-2-methylpyrimidin-4-yl)-N-(3-chloro-4-fluorophenyl)piperazine-1-carboxamide Traditional Name: 4-(5-benzyl-6-ethyl-2-methyl-pyrimidin-4-yl)-N-(3-chloro-4-fluoro-phenyl)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(=C(C=C3)F)Cl)CC4=CC=CC=C4

Isomeric SMILES

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

InChI

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