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

Systemtic Name: 3-[[[2-(6-methoxyquinolin-4-yl)-2-oxidanyl-ethyl]-piperidin-4-yl-amino]methyl]chromen-4-one Openeye Name: 3-[[[2-hydroxy-2-(6-methoxy-4-quinolyl)ethyl]-(4-piperidyl)amino]methyl]chromen-4-one CAS Name: 3-[[[2-hydroxy-2-(6-methoxy-4-quinolinyl)ethyl]-(4-piperidinyl)amino]methyl]-1-benzopyran-4-one IUPAC Name: 3-[[[2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]-piperidin-4-ylamino]methyl]chromen-4-one Traditional Name: 3-[[[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(CN(CC3=COC4=CC=CC=C4C3=O)C5CCNCC5)O

Isomeric SMILES

COC1=CC2=C(C=CN=C2C=C1)C(CN(CC3=COC4=CC=CC=C4C3=O)C5CCNCC5)O

InChI

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