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

Systemtic Name: 5-[(3,5-dimethylphenyl)methoxy]-2-[[4-(3-phenylpropanoyl)piperazin-1-yl]methyl]pyran-4-one Openeye Name: 5-[(3,5-dimethylphenyl)methoxy]-2-[[4-(3-phenylpropanoyl)piperazin-1-yl]methyl]pyran-4-one CAS Name: 5-[(3,5-dimethylphenyl)methoxy]-2-[[4-(1-oxo-3-phenylpropyl)-1-piperazinyl]methyl]-4-pyranone IUPAC Name: 5-[(3,5-dimethylphenyl)methoxy]-2-[[4-(3-phenylpropanoyl)piperazin-1-yl]methyl]pyran-4-one Traditional Name: 5-(3,5-dimethylbenzyl)oxy-2-[(4-hydrocinnamoylpiperazino)methyl]pyran-4-one Formula: C28H32N2O4 MolecularWeight: 460.56468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)COC2=COC(=CC2=O)CN3CCN(CC3)C(=O)CCC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=CC(=C1)COC2=COC(=CC2=O)CN3CCN(CC3)C(=O)CCC4=CC=CC=C4)C

InChI

InChI=1S/C28H32N2O4/c1-21-14-22(2)16-24(15-21)19-34-27-20-33-25(17-26(27)31)18-29-10-12-30(13-11-29)28(32)9-8-23-6-4-3-5-7-23/h3-7,14-17,20H,8-13,18-19H2,1-2H3