5-[(4-tert-butylphenyl)methoxy]-2-[[4-(2-chloranylpropanoyl)piperazin-1-yl]methyl]pyran-4-one

Systemtic Name: 5-[(4-tert-butylphenyl)methoxy]-2-[[4-(2-chloranylpropanoyl)piperazin-1-yl]methyl]pyran-4-one Openeye Name: 5-[(4-tert-butylphenyl)methoxy]-2-[[4-(2-chloropropanoyl)piperazin-1-yl]methyl]pyran-4-one CAS Name: 5-[(4-tert-butylphenyl)methoxy]-2-[[4-(2-chloro-1-oxopropyl)-1-piperazinyl]methyl]-4-pyranone IUPAC Name: 5-[(4-tert-butylphenyl)methoxy]-2-[[4-(2-chloropropanoyl)piperazin-1-yl]methyl]pyran-4-one Traditional Name: 5-(4-tert-butylbenzyl)oxy-2-[[4-(2-chloropropanoyl)piperazino]methyl]pyran-4-one Formula: C24H31ClN2O4 MolecularWeight: 446.96694

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)CC2=CC(=O)C(=CO2)OCC3=CC=C(C=C3)C(C)(C)C)Cl

Isomeric SMILES

CC(C(=O)N1CCN(CC1)CC2=CC(=O)C(=CO2)OCC3=CC=C(C=C3)C(C)(C)C)Cl

InChI

InChI=1S/C24H31ClN2O4/c1-17(25)23(29)27-11-9-26(10-12-27)14-20-13-21(28)22(16-30-20)31-15-18-5-7-19(8-6-18)24(2,3)4/h5-8,13,16-17H,9-12,14-15H2,1-4H3