(4-butylphenyl)-[4-[5-ethyl-2-(3-fluorophenyl)-6-methyl-pyrimidin-4-yl]piperazin-1-yl]methanone

Systemtic Name: (4-butylphenyl)-[4-[5-ethyl-2-(3-fluorophenyl)-6-methyl-pyrimidin-4-yl]piperazin-1-yl]methanone Openeye Name: (4-butylphenyl)-[4-[5-ethyl-2-(3-fluorophenyl)-6-methyl-pyrimidin-4-yl]piperazin-1-yl]methanone CAS Name: (4-butylphenyl)-[4-[5-ethyl-2-(3-fluorophenyl)-6-methyl-4-pyrimidinyl]-1-piperazinyl]methanone IUPAC Name: (4-butylphenyl)-[4-[5-ethyl-2-(3-fluorophenyl)-6-methylpyrimidin-4-yl]piperazin-1-yl]methanone Traditional Name: (4-butylphenyl)-[4-[5-ethyl-2-(3-fluorophenyl)-6-methyl-pyrimidin-4-yl]piperazino]methanone Formula: C28H33FN4O MolecularWeight: 460.586223

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NC(=NC(=C3CC)C)C4=CC(=CC=C4)F

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NC(=NC(=C3CC)C)C4=CC(=CC=C4)F

InChI

InChI=1S/C28H33FN4O/c1-4-6-8-21-11-13-22(14-12-21)28(34)33-17-15-32(16-18-33)27-25(5-2)20(3)30-26(31-27)23-9-7-10-24(29)19-23/h7,9-14,19H,4-6,8,15-18H2,1-3H3