4-[[4-[2,6-bis(fluoranyl)phenyl]carbonylpiperazin-1-yl]methyl]-7-methyl-chromen-2-one

Systemtic Name: 4-[[4-[2,6-bis(fluoranyl)phenyl]carbonylpiperazin-1-yl]methyl]-7-methyl-chromen-2-one Openeye Name: 4-[[4-(2,6-difluorobenzoyl)piperazin-1-yl]methyl]-7-methyl-chromen-2-one CAS Name: 4-[[4-[(2,6-difluorophenyl)-oxomethyl]-1-piperazinyl]methyl]-7-methyl-1-benzopyran-2-one IUPAC Name: 4-[[4-(2,6-difluorobenzoyl)piperazin-1-yl]methyl]-7-methylchromen-2-one Traditional Name: 4-[[4-(2,6-difluorobenzoyl)piperazino]methyl]-7-methyl-coumarin Formula: C22H20F2N2O3 MolecularWeight: 398.402606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)CN3CCN(CC3)C(=O)C4=C(C=CC=C4F)F

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)CN3CCN(CC3)C(=O)C4=C(C=CC=C4F)F

InChI

InChI=1S/C22H20F2N2O3/c1-14-5-6-16-15(12-20(27)29-19(16)11-14)13-25-7-9-26(10-8-25)22(28)21-17(23)3-2-4-18(21)24/h2-6,11-12H,7-10,13H2,1H3