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

Systemtic Name: 1-[4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-pyrimidin-4-yl]piperazin-1-yl]dodecan-1-one Openeye Name: 1-[4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-pyrimidin-4-yl]piperazin-1-yl]dodecan-1-one CAS Name: 1-[4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-4-pyrimidinyl]-1-piperazinyl]-1-dodecanone IUPAC Name: 1-[4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methylpyrimidin-4-yl]piperazin-1-yl]dodecan-1-one Traditional Name: 1-[4-[6-ethyl-5-(3-fluorobenzyl)-2-methyl-pyrimidin-4-yl]piperazino]dodecan-1-one Formula: C30H45FN4O MolecularWeight: 496.702903

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)N1CCN(CC1)C2=NC(=NC(=C2CC3=CC(=CC=C3)F)CC)C

Isomeric SMILES

CCCCCCCCCCCC(=O)N1CCN(CC1)C2=NC(=NC(=C2CC3=CC(=CC=C3)F)CC)C

InChI

InChI=1S/C30H45FN4O/c1-4-6-7-8-9-10-11-12-13-17-29(36)34-18-20-35(21-19-34)30-27(28(5-2)32-24(3)33-30)23-25-15-14-16-26(31)22-25/h14-16,22H,4-13,17-21,23H2,1-3H3