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

Systemtic Name: 5-[(2-chlorophenyl)methoxy]-2-[[4-(2-phenylbutanoyl)piperazin-1-yl]methyl]pyran-4-one Openeye Name: 5-[(2-chlorophenyl)methoxy]-2-[[4-(2-phenylbutanoyl)piperazin-1-yl]methyl]pyran-4-one CAS Name: 5-[(2-chlorophenyl)methoxy]-2-[[4-(1-oxo-2-phenylbutyl)-1-piperazinyl]methyl]-4-pyranone IUPAC Name: 5-[(2-chlorophenyl)methoxy]-2-[[4-(2-phenylbutanoyl)piperazin-1-yl]methyl]pyran-4-one Traditional Name: 5-(2-chlorobenzyl)oxy-2-[[4-(2-phenylbutanoyl)piperazino]methyl]pyran-4-one Formula: C27H29ClN2O4 MolecularWeight: 480.98316

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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=C4Cl

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)N2CCN(CC2)CC3=CC(=O)C(=CO3)OCC4=CC=CC=C4Cl

InChI

InChI=1S/C27H29ClN2O4/c1-2-23(20-8-4-3-5-9-20)27(32)30-14-12-29(13-15-30)17-22-16-25(31)26(19-33-22)34-18-21-10-6-7-11-24(21)28/h3-11,16,19,23H,2,12-15,17-18H2,1H3