5-[3-fluoranyl-4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinolin-4-yl]oxy-phenyl]-3-(phenylmethyl)pyrimidin-4-one

Systemtic Name: 5-[3-fluoranyl-4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinolin-4-yl]oxy-phenyl]-3-(phenylmethyl)pyrimidin-4-one Openeye Name: 3-benzyl-5-[3-fluoro-4-[[6-methoxy-7-[3-(1-piperidyl)propoxy]-4-quinolyl]oxy]phenyl]pyrimidin-4-one CAS Name: 5-[3-fluoro-4-[[6-methoxy-7-[3-(1-piperidinyl)propoxy]-4-quinolinyl]oxy]phenyl]-3-(phenylmethyl)-4-pyrimidinone IUPAC Name: 3-benzyl-5-[3-fluoro-4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinolin-4-yl]oxyphenyl]pyrimidin-4-one Traditional Name: 3-benzyl-5-[3-fluoro-4-[[6-methoxy-7-(3-piperidinopropoxy)-4-quinolyl]oxy]phenyl]pyrimidin-4-one Formula: C35H35FN4O4 MolecularWeight: 594.675203

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=CN=C2C=C1OCCCN3CCCCC3)OC4=C(C=C(C=C4)C5=CN=CN(C5=O)CC6=CC=CC=C6)F

Isomeric SMILES

COC1=CC2=C(C=CN=C2C=C1OCCCN3CCCCC3)OC4=C(C=C(C=C4)C5=CN=CN(C5=O)CC6=CC=CC=C6)F

InChI

InChI=1S/C35H35FN4O4/c1-42-33-20-27-30(21-34(33)43-18-8-17-39-15-6-3-7-16-39)38-14-13-31(27)44-32-12-11-26(19-29(32)36)28-22-37-24-40(35(28)41)23-25-9-4-2-5-10-25/h2,4-5,9-14,19-22,24H,3,6-8,15-18,23H2,1H3