2-[[4-(5-bromanylpyridin-3-yl)carbonylpiperazin-1-yl]methyl]-5-[(3,5-dimethylphenyl)methoxy]pyran-4-one

Systemtic Name: 2-[[4-(5-bromanylpyridin-3-yl)carbonylpiperazin-1-yl]methyl]-5-[(3,5-dimethylphenyl)methoxy]pyran-4-one Openeye Name: 2-[[4-(5-bromopyridine-3-carbonyl)piperazin-1-yl]methyl]-5-[(3,5-dimethylphenyl)methoxy]pyran-4-one CAS Name: 2-[[4-[(5-bromo-3-pyridinyl)-oxomethyl]-1-piperazinyl]methyl]-5-[(3,5-dimethylphenyl)methoxy]-4-pyranone IUPAC Name: 2-[[4-(5-bromopyridine-3-carbonyl)piperazin-1-yl]methyl]-5-[(3,5-dimethylphenyl)methoxy]pyran-4-one Traditional Name: 2-[[4-(5-bromonicotinoyl)piperazino]methyl]-5-(3,5-dimethylbenzyl)oxy-pyran-4-one Formula: C25H26BrN3O4 MolecularWeight: 512.39564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)COC2=COC(=CC2=O)CN3CCN(CC3)C(=O)C4=CC(=CN=C4)Br)C

Isomeric SMILES

CC1=CC(=CC(=C1)COC2=COC(=CC2=O)CN3CCN(CC3)C(=O)C4=CC(=CN=C4)Br)C

InChI

InChI=1S/C25H26BrN3O4/c1-17-7-18(2)9-19(8-17)15-33-24-16-32-22(11-23(24)30)14-28-3-5-29(6-4-28)25(31)20-10-21(26)13-27-12-20/h7-13,16H,3-6,14-15H2,1-2H3