4-[[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-1-yl]methyl]-7-methyl-chromen-2-one

Systemtic Name: 4-[[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-1-yl]methyl]-7-methyl-chromen-2-one Openeye Name: 4-[[4-[(2-chloro-6-fluoro-phenyl)methyl]piperazin-1-yl]methyl]-7-methyl-chromen-2-one CAS Name: 4-[[4-[(2-chloro-6-fluorophenyl)methyl]-1-piperazinyl]methyl]-7-methyl-1-benzopyran-2-one IUPAC Name: 4-[[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]methyl]-7-methylchromen-2-one Traditional Name: 4-[[4-(2-chloro-6-fluoro-benzyl)piperazino]methyl]-7-methyl-coumarin Formula: C22H22ClFN2O2 MolecularWeight: 400.873683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)CN3CCN(CC3)CC4=C(C=CC=C4Cl)F

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)CN3CCN(CC3)CC4=C(C=CC=C4Cl)F

InChI

InChI=1S/C22H22ClFN2O2/c1-15-5-6-17-16(12-22(27)28-21(17)11-15)13-25-7-9-26(10-8-25)14-18-19(23)3-2-4-20(18)24/h2-6,11-12H,7-10,13-14H2,1H3