1-[4-[5-ethyl-2-(3-fluorophenyl)-6-methyl-pyrimidin-4-yl]piperazin-1-yl]-3,5,5-trimethyl-hexan-1-one

Systemtic Name: 1-[4-[5-ethyl-2-(3-fluorophenyl)-6-methyl-pyrimidin-4-yl]piperazin-1-yl]-3,5,5-trimethyl-hexan-1-one Openeye Name: 1-[4-[5-ethyl-2-(3-fluorophenyl)-6-methyl-pyrimidin-4-yl]piperazin-1-yl]-3,5,5-trimethyl-hexan-1-one CAS Name: 1-[4-[5-ethyl-2-(3-fluorophenyl)-6-methyl-4-pyrimidinyl]-1-piperazinyl]-3,5,5-trimethyl-1-hexanone IUPAC Name: 1-[4-[5-ethyl-2-(3-fluorophenyl)-6-methylpyrimidin-4-yl]piperazin-1-yl]-3,5,5-trimethylhexan-1-one Traditional Name: 1-[4-[5-ethyl-2-(3-fluorophenyl)-6-methyl-pyrimidin-4-yl]piperazino]-3,5,5-trimethyl-hexan-1-one Formula: C26H37FN4O MolecularWeight: 440.596583

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C(N=C1N2CCN(CC2)C(=O)CC(C)CC(C)(C)C)C3=CC(=CC=C3)F)C

Isomeric SMILES

CCC1=C(N=C(N=C1N2CCN(CC2)C(=O)CC(C)CC(C)(C)C)C3=CC(=CC=C3)F)C

InChI

InChI=1S/C26H37FN4O/c1-7-22-19(3)28-24(20-9-8-10-21(27)16-20)29-25(22)31-13-11-30(12-14-31)23(32)15-18(2)17-26(4,5)6/h8-10,16,18H,7,11-15,17H2,1-6H3