5-[(3-fluorophenyl)methoxy]-2-[[4-(4-octylphenyl)carbonylpiperazin-1-yl]methyl]pyran-4-one

Systemtic Name: 5-[(3-fluorophenyl)methoxy]-2-[[4-(4-octylphenyl)carbonylpiperazin-1-yl]methyl]pyran-4-one Openeye Name: 5-[(3-fluorophenyl)methoxy]-2-[[4-(4-octylbenzoyl)piperazin-1-yl]methyl]pyran-4-one CAS Name: 5-[(3-fluorophenyl)methoxy]-2-[[4-[(4-octylphenyl)-oxomethyl]-1-piperazinyl]methyl]-4-pyranone IUPAC Name: 5-[(3-fluorophenyl)methoxy]-2-[[4-(4-octylbenzoyl)piperazin-1-yl]methyl]pyran-4-one Traditional Name: 5-(3-fluorobenzyl)oxy-2-[[4-(4-octylbenzoyl)piperazino]methyl]pyran-4-one Formula: C32H39FN2O4 MolecularWeight: 534.661463

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C(=O)N2CCN(CC2)CC3=CC(=O)C(=CO3)OCC4=CC(=CC=C4)F

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C(=O)N2CCN(CC2)CC3=CC(=O)C(=CO3)OCC4=CC(=CC=C4)F

InChI

InChI=1S/C32H39FN2O4/c1-2-3-4-5-6-7-9-25-12-14-27(15-13-25)32(37)35-18-16-34(17-19-35)22-29-21-30(36)31(24-38-29)39-23-26-10-8-11-28(33)20-26/h8,10-15,20-21,24H,2-7,9,16-19,22-23H2,1H3