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

Systemtic Name: 5-[(3,5-dimethylphenyl)methoxy]-2-[[4-(3-methylthiophen-2-yl)carbonylpiperazin-1-yl]methyl]pyran-4-one Openeye Name: 5-[(3,5-dimethylphenyl)methoxy]-2-[[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]methyl]pyran-4-one CAS Name: 5-[(3,5-dimethylphenyl)methoxy]-2-[[4-[(3-methyl-2-thiophenyl)-oxomethyl]-1-piperazinyl]methyl]-4-pyranone IUPAC Name: 5-[(3,5-dimethylphenyl)methoxy]-2-[[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]methyl]pyran-4-one Traditional Name: 5-(3,5-dimethylbenzyl)oxy-2-[[4-(3-methylthiophene-2-carbonyl)piperazino]methyl]pyran-4-one Formula: C25H28N2O4S MolecularWeight: 452.56582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C(=O)N2CCN(CC2)CC3=CC(=O)C(=CO3)OCC4=CC(=CC(=C4)C)C

Isomeric SMILES

CC1=C(SC=C1)C(=O)N2CCN(CC2)CC3=CC(=O)C(=CO3)OCC4=CC(=CC(=C4)C)C

InChI

InChI=1S/C25H28N2O4S/c1-17-10-18(2)12-20(11-17)15-31-23-16-30-21(13-22(23)28)14-26-5-7-27(8-6-26)25(29)24-19(3)4-9-32-24/h4,9-13,16H,5-8,14-15H2,1-3H3