6-chloranyl-3-[[(3R,4R)-4-(4-methylpiperazin-1-yl)-3-oxidanyl-piperidin-1-yl]methyl]chromen-4-one

Systemtic Name: 6-chloranyl-3-[[(3R,4R)-4-(4-methylpiperazin-1-yl)-3-oxidanyl-piperidin-1-yl]methyl]chromen-4-one Openeye Name: 6-chloro-3-[[(3R,4R)-3-hydroxy-4-(4-methylpiperazin-1-yl)-1-piperidyl]methyl]chromen-4-one CAS Name: 6-chloro-3-[[(3R,4R)-3-hydroxy-4-(4-methyl-1-piperazinyl)-1-piperidinyl]methyl]-1-benzopyran-4-one IUPAC Name: 6-chloro-3-[[(3R,4R)-3-hydroxy-4-(4-methylpiperazin-1-yl)piperidin-1-yl]methyl]chromen-4-one Traditional Name: 6-chloro-3-[[(3R,4R)-3-hydroxy-4-(4-methylpiperazino)piperidino]methyl]chromone Formula: C20H26ClN3O3 MolecularWeight: 391.89174

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2CCN(CC2O)CC3=COC4=C(C3=O)C=C(C=C4)Cl

Isomeric SMILES

CN1CCN(CC1)[C@@H]2CCN(C[C@H]2O)CC3=COC4=C(C3=O)C=C(C=C4)Cl

InChI

InChI=1S/C20H26ClN3O3/c1-22-6-8-24(9-7-22)17-4-5-23(12-18(17)25)11-14-13-27-19-3-2-15(21)10-16(19)20(14)26/h2-3,10,13,17-18,25H,4-9,11-12H2,1H3/t17-,18-/m1/s1