6-bromanyl-8-methoxy-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]carbonyl-chromen-2-one

Systemtic Name: 6-bromanyl-8-methoxy-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]carbonyl-chromen-2-one Openeye Name: 6-bromo-8-methoxy-3-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]chromen-2-one CAS Name: 6-bromo-8-methoxy-3-[oxo-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]methyl]-1-benzopyran-2-one IUPAC Name: 6-bromo-8-methoxy-3-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]chromen-2-one Traditional Name: 6-bromo-8-methoxy-3-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]coumarin Formula: C22H18BrF3N2O4 MolecularWeight: 511.28853

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CC(=C1)Br)C=C(C(=O)O2)C(=O)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

COC1=C2C(=CC(=C1)Br)C=C(C(=O)O2)C(=O)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C22H18BrF3N2O4/c1-31-18-12-15(23)9-13-10-17(21(30)32-19(13)18)20(29)28-7-5-27(6-8-28)16-4-2-3-14(11-16)22(24,25)26/h2-4,9-12H,5-8H2,1H3