5-[(3,5-dimethylphenyl)methoxy]-2-[[4-(3-methylbut-2-enoyl)piperazin-1-yl]methyl]pyran-4-one

Systemtic Name: 5-[(3,5-dimethylphenyl)methoxy]-2-[[4-(3-methylbut-2-enoyl)piperazin-1-yl]methyl]pyran-4-one Openeye Name: 5-[(3,5-dimethylphenyl)methoxy]-2-[[4-(3-methylbut-2-enoyl)piperazin-1-yl]methyl]pyran-4-one CAS Name: 5-[(3,5-dimethylphenyl)methoxy]-2-[[4-(3-methyl-1-oxobut-2-enyl)-1-piperazinyl]methyl]-4-pyranone IUPAC Name: 5-[(3,5-dimethylphenyl)methoxy]-2-[[4-(3-methylbut-2-enoyl)piperazin-1-yl]methyl]pyran-4-one Traditional Name: 5-(3,5-dimethylbenzyl)oxy-2-[[4-(3-methylbut-2-enoyl)piperazino]methyl]pyran-4-one Formula: C24H30N2O4 MolecularWeight: 410.506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N2O4/c1-17(2)9-24(28)26-7-5-25(6-8-26)14-21-13-22(27)23(16-29-21)30-15-20-11-18(3)10-19(4)12-20/h9-13,16H,5-8,14-15H2,1-4H3