4-[[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-1-yl]methyl]-7-methoxy-chromen-2-one

Systemtic Name: 4-[[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-1-yl]methyl]-7-methoxy-chromen-2-one Openeye Name: 4-[[4-[(5-fluoro-2-methoxy-phenyl)methyl]piperazin-1-yl]methyl]-7-methoxy-chromen-2-one CAS Name: 4-[[4-[(5-fluoro-2-methoxyphenyl)methyl]-1-piperazinyl]methyl]-7-methoxy-1-benzopyran-2-one IUPAC Name: 4-[[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]methyl]-7-methoxychromen-2-one Traditional Name: 4-[[4-(5-fluoro-2-methoxy-benzyl)piperazino]methyl]-7-methoxy-coumarin Formula: C23H25FN2O4 MolecularWeight: 412.454003

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)CN3CCN(CC3)CC4=C(C=CC(=C4)F)OC

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)CN3CCN(CC3)CC4=C(C=CC(=C4)F)OC

InChI

InChI=1S/C23H25FN2O4/c1-28-19-4-5-20-16(12-23(27)30-22(20)13-19)14-25-7-9-26(10-8-25)15-17-11-18(24)3-6-21(17)29-2/h3-6,11-13H,7-10,14-15H2,1-2H3