cyclobutyl-[4-[6-ethyl-5-[(4-fluorophenyl)methyl]-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]methanone

Systemtic Name: cyclobutyl-[4-[6-ethyl-5-[(4-fluorophenyl)methyl]-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]methanone Openeye Name: cyclobutyl-[4-[6-ethyl-5-[(4-fluorophenyl)methyl]-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]methanone CAS Name: cyclobutyl-[4-[6-ethyl-5-[(4-fluorophenyl)methyl]-2-phenyl-4-pyrimidinyl]-1-piperazinyl]methanone IUPAC Name: cyclobutyl-[4-[6-ethyl-5-[(4-fluorophenyl)methyl]-2-phenylpyrimidin-4-yl]piperazin-1-yl]methanone Traditional Name: cyclobutyl-[4-[6-ethyl-5-(4-fluorobenzyl)-2-phenyl-pyrimidin-4-yl]piperazino]methanone Formula: C28H31FN4O MolecularWeight: 458.570343

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCN(CC3)C(=O)C4CCC4)CC5=CC=C(C=C5)F

Isomeric SMILES

CCC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCN(CC3)C(=O)C4CCC4)CC5=CC=C(C=C5)F

InChI

InChI=1S/C28H31FN4O/c1-2-25-24(19-20-11-13-23(29)14-12-20)27(31-26(30-25)21-7-4-3-5-8-21)32-15-17-33(18-16-32)28(34)22-9-6-10-22/h3-5,7-8,11-14,22H,2,6,9-10,15-19H2,1H3