3-[[[1-[2-(6-methoxyquinolin-4-yl)-2-oxidanyl-ethyl]piperidin-4-yl]amino]methyl]chromen-4-one

Systemtic Name: 3-[[[1-[2-(6-methoxyquinolin-4-yl)-2-oxidanyl-ethyl]piperidin-4-yl]amino]methyl]chromen-4-one Openeye Name: 3-[[[1-[2-hydroxy-2-(6-methoxy-4-quinolyl)ethyl]-4-piperidyl]amino]methyl]chromen-4-one CAS Name: 3-[[[1-[2-hydroxy-2-(6-methoxy-4-quinolinyl)ethyl]-4-piperidinyl]amino]methyl]-1-benzopyran-4-one IUPAC Name: 3-[[[1-[2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]amino]methyl]chromen-4-one Traditional Name: 3-[[[1-[2-hydroxy-2-(6-methoxy-4-quinolyl)ethyl]-4-piperidyl]amino]methyl]chromone Formula: C27H29N3O4 MolecularWeight: 459.53686

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=CN=C2C=C1)C(CN3CCC(CC3)NCC4=COC5=CC=CC=C5C4=O)O

Isomeric SMILES

COC1=CC2=C(C=CN=C2C=C1)C(CN3CCC(CC3)NCC4=COC5=CC=CC=C5C4=O)O

InChI

InChI=1S/C27H29N3O4/c1-33-20-6-7-24-23(14-20)21(8-11-28-24)25(31)16-30-12-9-19(10-13-30)29-15-18-17-34-26-5-3-2-4-22(26)27(18)32/h2-8,11,14,17,19,25,29,31H,9-10,12-13,15-16H2,1H3