3-[[(3R,4R)-3-oxidanyl-4-(4-pyridin-2-ylpiperazin-1-yl)piperidin-1-yl]methyl]chromen-4-one

Systemtic Name: 3-[[(3R,4R)-3-oxidanyl-4-(4-pyridin-2-ylpiperazin-1-yl)piperidin-1-yl]methyl]chromen-4-one Openeye Name: 3-[[(3R,4R)-3-hydroxy-4-[4-(2-pyridyl)piperazin-1-yl]-1-piperidyl]methyl]chromen-4-one CAS Name: 3-[[(3R,4R)-3-hydroxy-4-[4-(2-pyridinyl)-1-piperazinyl]-1-piperidinyl]methyl]-1-benzopyran-4-one IUPAC Name: 3-[[(3R,4R)-3-hydroxy-4-(4-pyridin-2-ylpiperazin-1-yl)piperidin-1-yl]methyl]chromen-4-one Traditional Name: 3-[[(3R,4R)-3-hydroxy-4-[4-(2-pyridyl)piperazino]piperidino]methyl]chromone Formula: C24H28N4O3 MolecularWeight: 420.50412

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(C1N2CCN(CC2)C3=CC=CC=N3)O)CC4=COC5=CC=CC=C5C4=O

Isomeric SMILES

C1CN(C[C@H]([C@@H]1N2CCN(CC2)C3=CC=CC=N3)O)CC4=COC5=CC=CC=C5C4=O

InChI

InChI=1S/C24H28N4O3/c29-21-16-26(15-18-17-31-22-6-2-1-5-19(22)24(18)30)10-8-20(21)27-11-13-28(14-12-27)23-7-3-4-9-25-23/h1-7,9,17,20-21,29H,8,10-16H2/t20-,21-/m1/s1