6-[[[1-[(2R)-2-(6-methoxyquinolin-4-yl)-2-oxidanyl-ethyl]piperidin-4-yl]amino]methyl]-1H-quinazolin-4-one

Systemtic Name: 6-[[[1-[(2R)-2-(6-methoxyquinolin-4-yl)-2-oxidanyl-ethyl]piperidin-4-yl]amino]methyl]-1H-quinazolin-4-one Openeye Name: 6-[[[1-[(2R)-2-hydroxy-2-(6-methoxy-4-quinolyl)ethyl]-4-piperidyl]amino]methyl]-1H-quinazolin-4-one CAS Name: 6-[[[1-[(2R)-2-hydroxy-2-(6-methoxy-4-quinolinyl)ethyl]-4-piperidinyl]amino]methyl]-1H-quinazolin-4-one IUPAC Name: 6-[[[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-1H-quinazolin-4-one Traditional Name: 6-[[[1-[(2R)-2-hydroxy-2-(6-methoxy-4-quinolyl)ethyl]-4-piperidyl]amino]methyl]-1H-quinazolin-4-one Formula: C26H29N5O3 MolecularWeight: 459.54016

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=CN=C2C=C1)C(CN3CCC(CC3)NCC4=CC5=C(C=C4)NC=NC5=O)O

Isomeric SMILES

COC1=CC2=C(C=CN=C2C=C1)[C@H](CN3CCC(CC3)NCC4=CC5=C(C=C4)NC=NC5=O)O

InChI

InChI=1S/C26H29N5O3/c1-34-19-3-5-23-21(13-19)20(6-9-27-23)25(32)15-31-10-7-18(8-11-31)28-14-17-2-4-24-22(12-17)26(33)30-16-29-24/h2-6,9,12-13,16,18,25,28,32H,7-8,10-11,14-15H2,1H3,(H,29,30,33)/t25-/m0/s1