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

Systemtic Name: 4-[5-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-6-ethyl-2-phenyl-pyrimidin-4-yl]-N-propan-2-yl-piperazine-1-carboxamide Openeye Name: 4-[5-[(2-chloro-6-fluoro-phenyl)methyl]-6-ethyl-2-phenyl-pyrimidin-4-yl]-N-isopropyl-piperazine-1-carboxamide CAS Name: 4-[5-[(2-chloro-6-fluorophenyl)methyl]-6-ethyl-2-phenyl-4-pyrimidinyl]-N-propan-2-yl-1-piperazinecarboxamide IUPAC Name: 4-[5-[(2-chloro-6-fluorophenyl)methyl]-6-ethyl-2-phenylpyrimidin-4-yl]-N-propan-2-ylpiperazine-1-carboxamide Traditional Name: 4-[5-(2-chloro-6-fluoro-benzyl)-6-ethyl-2-phenyl-pyrimidin-4-yl]-N-isopropyl-piperazine-1-carboxamide Formula: C27H31ClFN5O MolecularWeight: 496.019343

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCN(CC3)C(=O)NC(C)C)CC4=C(C=CC=C4Cl)F

Isomeric SMILES

CCC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCN(CC3)C(=O)NC(C)C)CC4=C(C=CC=C4Cl)F

InChI

InChI=1S/C27H31ClFN5O/c1-4-24-21(17-20-22(28)11-8-12-23(20)29)26(32-25(31-24)19-9-6-5-7-10-19)33-13-15-34(16-14-33)27(35)30-18(2)3/h5-12,18H,4,13-17H2,1-3H3,(H,30,35)