7-bromanyl-4-[[4-(4-fluorophenyl)carbonylpiperazin-1-yl]methyl]chromen-2-one

Systemtic Name: 7-bromanyl-4-[[4-(4-fluorophenyl)carbonylpiperazin-1-yl]methyl]chromen-2-one Openeye Name: 7-bromo-4-[[4-(4-fluorobenzoyl)piperazin-1-yl]methyl]chromen-2-one CAS Name: 7-bromo-4-[[4-[(4-fluorophenyl)-oxomethyl]-1-piperazinyl]methyl]-1-benzopyran-2-one IUPAC Name: 7-bromo-4-[[4-(4-fluorobenzoyl)piperazin-1-yl]methyl]chromen-2-one Traditional Name: 7-bromo-4-[[4-(4-fluorobenzoyl)piperazino]methyl]coumarin Formula: C21H18BrFN2O3 MolecularWeight: 445.281623

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC(=O)OC3=C2C=CC(=C3)Br)C(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CCN1CC2=CC(=O)OC3=C2C=CC(=C3)Br)C(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H18BrFN2O3/c22-16-3-6-18-15(11-20(26)28-19(18)12-16)13-24-7-9-25(10-8-24)21(27)14-1-4-17(23)5-2-14/h1-6,11-12H,7-10,13H2