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

Systemtic Name: 5-[(3,5-dimethylphenyl)methoxy]-2-[[4-(2-phenylbutanoyl)piperazin-1-yl]methyl]pyran-4-one Openeye Name: 5-[(3,5-dimethylphenyl)methoxy]-2-[[4-(2-phenylbutanoyl)piperazin-1-yl]methyl]pyran-4-one CAS Name: 5-[(3,5-dimethylphenyl)methoxy]-2-[[4-(1-oxo-2-phenylbutyl)-1-piperazinyl]methyl]-4-pyranone IUPAC Name: 5-[(3,5-dimethylphenyl)methoxy]-2-[[4-(2-phenylbutanoyl)piperazin-1-yl]methyl]pyran-4-one Traditional Name: 5-(3,5-dimethylbenzyl)oxy-2-[[4-(2-phenylbutanoyl)piperazino]methyl]pyran-4-one Formula: C29H34N2O4 MolecularWeight: 474.59126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H34N2O4/c1-4-26(24-8-6-5-7-9-24)29(33)31-12-10-30(11-13-31)18-25-17-27(32)28(20-34-25)35-19-23-15-21(2)14-22(3)16-23/h5-9,14-17,20,26H,4,10-13,18-19H2,1-3H3