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

Systemtic Name: 5-[(2,5-dimethylphenyl)methoxy]-2-[(4-phenylpiperazin-1-yl)methyl]pyran-4-one Openeye Name: 5-[(2,5-dimethylphenyl)methoxy]-2-[(4-phenylpiperazin-1-yl)methyl]pyran-4-one CAS Name: 5-[(2,5-dimethylphenyl)methoxy]-2-[(4-phenyl-1-piperazinyl)methyl]-4-pyranone IUPAC Name: 5-[(2,5-dimethylphenyl)methoxy]-2-[(4-phenylpiperazin-1-yl)methyl]pyran-4-one Traditional Name: 5-(2,5-dimethylbenzyl)oxy-2-[(4-phenylpiperazino)methyl]pyran-4-one Formula: C25H28N2O3 MolecularWeight: 404.50142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N2O3/c1-19-8-9-20(2)21(14-19)17-30-25-18-29-23(15-24(25)28)16-26-10-12-27(13-11-26)22-6-4-3-5-7-22/h3-9,14-15,18H,10-13,16-17H2,1-2H3