2-[[(3S,4S)-3-oxidanyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrrolidin-1-yl]methyl]-1H-quinolin-4-one

Systemtic Name: 2-[[(3S,4S)-3-oxidanyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrrolidin-1-yl]methyl]-1H-quinolin-4-one Openeye Name: 2-[[(3S,4S)-3-hydroxy-4-[4-(2-pyridyl)piperazin-1-yl]pyrrolidin-1-yl]methyl]-1H-quinolin-4-one CAS Name: 2-[[(3S,4S)-3-hydroxy-4-[4-(2-pyridinyl)-1-piperazinyl]-1-pyrrolidinyl]methyl]-1H-quinolin-4-one IUPAC Name: 2-[[(3S,4S)-3-hydroxy-4-(4-pyridin-2-ylpiperazin-1-yl)pyrrolidin-1-yl]methyl]-1H-quinolin-4-one Traditional Name: 2-[[(3S,4S)-3-hydroxy-4-[4-(2-pyridyl)piperazino]pyrrolidino]methyl]-4-quinolone Formula: C23H27N5O2 MolecularWeight: 405.49278

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2CN(CC2O)CC3=CC(=O)C4=CC=CC=C4N3)C5=CC=CC=N5

Isomeric SMILES

C1CN(CCN1[C@H]2CN(C[C@@H]2O)CC3=CC(=O)C4=CC=CC=C4N3)C5=CC=CC=N5

InChI

InChI=1S/C23H27N5O2/c29-21-13-17(25-19-6-2-1-5-18(19)21)14-26-15-20(22(30)16-26)27-9-11-28(12-10-27)23-7-3-4-8-24-23/h1-8,13,20,22,30H,9-12,14-16H2,(H,25,29)/t20-,22-/m0/s1