4-[[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-yl]methyl]-7-oxidanyl-chromen-2-one

Systemtic Name: 4-[[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-yl]methyl]-7-oxidanyl-chromen-2-one Openeye Name: 4-[[4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazin-1-yl]methyl]-7-hydroxy-chromen-2-one CAS Name: 4-[[4-[(3-fluoro-4-methoxyphenyl)methyl]-1-piperazinyl]methyl]-7-hydroxy-1-benzopyran-2-one IUPAC Name: 4-[[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]methyl]-7-hydroxychromen-2-one Traditional Name: 4-[[4-(3-fluoro-4-methoxy-benzyl)piperazino]methyl]-7-hydroxy-coumarin Formula: C22H23FN2O4 MolecularWeight: 398.427423

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCN(CC2)CC3=CC(=O)OC4=C3C=CC(=C4)O)F

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCN(CC2)CC3=CC(=O)OC4=C3C=CC(=C4)O)F

InChI

InChI=1S/C22H23FN2O4/c1-28-20-5-2-15(10-19(20)23)13-24-6-8-25(9-7-24)14-16-11-22(27)29-21-12-17(26)3-4-18(16)21/h2-5,10-12,26H,6-9,13-14H2,1H3