2-ethyl-1-[(3S)-3-[5-(4-fluorophenyl)-2-methyl-pyrimidin-4-yl]piperidin-1-yl]butan-1-one

Systemtic Name: 2-ethyl-1-[(3S)-3-[5-(4-fluorophenyl)-2-methyl-pyrimidin-4-yl]piperidin-1-yl]butan-1-one Openeye Name: 2-ethyl-1-[(3S)-3-[5-(4-fluorophenyl)-2-methyl-pyrimidin-4-yl]-1-piperidyl]butan-1-one CAS Name: 2-ethyl-1-[(3S)-3-[5-(4-fluorophenyl)-2-methyl-4-pyrimidinyl]-1-piperidinyl]-1-butanone IUPAC Name: 2-ethyl-1-[(3S)-3-[5-(4-fluorophenyl)-2-methylpyrimidin-4-yl]piperidin-1-yl]butan-1-one Traditional Name: 2-ethyl-1-[(3S)-3-[5-(4-fluorophenyl)-2-methyl-pyrimidin-4-yl]piperidino]butan-1-one Formula: C22H28FN3O MolecularWeight: 369.475623

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)N1CCCC(C1)C2=NC(=NC=C2C3=CC=C(C=C3)F)C

Isomeric SMILES

CCC(CC)C(=O)N1CCC[C@@H](C1)C2=NC(=NC=C2C3=CC=C(C=C3)F)C

InChI

InChI=1S/C22H28FN3O/c1-4-16(5-2)22(27)26-12-6-7-18(14-26)21-20(13-24-15(3)25-21)17-8-10-19(23)11-9-17/h8-11,13,16,18H,4-7,12,14H2,1-3H3/t18-/m0/s1