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

Systemtic Name: (4-butylphenyl)-[4-[2-(3-fluorophenyl)-6-methyl-pyrimidin-4-yl]piperazin-1-yl]methanone Openeye Name: (4-butylphenyl)-[4-[2-(3-fluorophenyl)-6-methyl-pyrimidin-4-yl]piperazin-1-yl]methanone CAS Name: (4-butylphenyl)-[4-[2-(3-fluorophenyl)-6-methyl-4-pyrimidinyl]-1-piperazinyl]methanone IUPAC Name: (4-butylphenyl)-[4-[2-(3-fluorophenyl)-6-methylpyrimidin-4-yl]piperazin-1-yl]methanone Traditional Name: (4-butylphenyl)-[4-[2-(3-fluorophenyl)-6-methyl-pyrimidin-4-yl]piperazino]methanone Formula: C26H29FN4O MolecularWeight: 432.533063

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29FN4O/c1-3-4-6-20-9-11-21(12-10-20)26(32)31-15-13-30(14-16-31)24-17-19(2)28-25(29-24)22-7-5-8-23(27)18-22/h5,7-12,17-18H,3-4,6,13-16H2,1-2H3