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

Systemtic Name: 4-[[4-[(4-bromanyl-2-fluoranyl-phenyl)methyl]piperazin-1-yl]methyl]-7-methyl-chromen-2-one Openeye Name: 4-[[4-[(4-bromo-2-fluoro-phenyl)methyl]piperazin-1-yl]methyl]-7-methyl-chromen-2-one CAS Name: 4-[[4-[(4-bromo-2-fluorophenyl)methyl]-1-piperazinyl]methyl]-7-methyl-1-benzopyran-2-one IUPAC Name: 4-[[4-[(4-bromo-2-fluorophenyl)methyl]piperazin-1-yl]methyl]-7-methylchromen-2-one Traditional Name: 4-[[4-(4-bromo-2-fluoro-benzyl)piperazino]methyl]-7-methyl-coumarin Formula: C22H22BrFN2O2 MolecularWeight: 445.324683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)CN3CCN(CC3)CC4=C(C=C(C=C4)Br)F

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)CN3CCN(CC3)CC4=C(C=C(C=C4)Br)F

InChI

InChI=1S/C22H22BrFN2O2/c1-15-2-5-19-17(11-22(27)28-21(19)10-15)14-26-8-6-25(7-9-26)13-16-3-4-18(23)12-20(16)24/h2-5,10-12H,6-9,13-14H2,1H3