3-[(3-fluoranyl-4-methoxy-phenyl)methyl-methyl-amino]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-[(3-fluoranyl-4-methoxy-phenyl)methyl-methyl-amino]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one Openeye Name: 3-[(3-fluoro-4-methoxy-phenyl)methyl-methyl-amino]-1-[4-(2-pyridyl)piperazin-1-yl]propan-1-one CAS Name: 3-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-1-[4-(2-pyridinyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one Traditional Name: 3-[(3-fluoro-4-methoxy-benzyl)-methyl-amino]-1-[4-(2-pyridyl)piperazino]propan-1-one Formula: C21H27FN4O2 MolecularWeight: 386.463083

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC(=O)N1CCN(CC1)C2=CC=CC=N2)CC3=CC(=C(C=C3)OC)F

Isomeric SMILES

CN(CCC(=O)N1CCN(CC1)C2=CC=CC=N2)CC3=CC(=C(C=C3)OC)F

InChI

InChI=1S/C21H27FN4O2/c1-24(16-17-6-7-19(28-2)18(22)15-17)10-8-21(27)26-13-11-25(12-14-26)20-5-3-4-9-23-20/h3-7,9,15H,8,10-14,16H2,1-2H3