2-[[4-(5-tert-butyl-2-methyl-furan-3-yl)carbonylpiperazin-1-yl]methyl]-5-[(2-chlorophenyl)methoxy]pyran-4-one

Systemtic Name: 2-[[4-(5-tert-butyl-2-methyl-furan-3-yl)carbonylpiperazin-1-yl]methyl]-5-[(2-chlorophenyl)methoxy]pyran-4-one Openeye Name: 2-[[4-(5-tert-butyl-2-methyl-furan-3-carbonyl)piperazin-1-yl]methyl]-5-[(2-chlorophenyl)methoxy]pyran-4-one CAS Name: 2-[[4-[(5-tert-butyl-2-methyl-3-furanyl)-oxomethyl]-1-piperazinyl]methyl]-5-[(2-chlorophenyl)methoxy]-4-pyranone IUPAC Name: 2-[[4-(5-tert-butyl-2-methylfuran-3-carbonyl)piperazin-1-yl]methyl]-5-[(2-chlorophenyl)methoxy]pyran-4-one Traditional Name: 2-[[4-(5-tert-butyl-2-methyl-3-furoyl)piperazino]methyl]-5-(2-chlorobenzyl)oxy-pyran-4-one Formula: C27H31ClN2O5 MolecularWeight: 498.99844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)C(C)(C)C)C(=O)N2CCN(CC2)CC3=CC(=O)C(=CO3)OCC4=CC=CC=C4Cl

Isomeric SMILES

CC1=C(C=C(O1)C(C)(C)C)C(=O)N2CCN(CC2)CC3=CC(=O)C(=CO3)OCC4=CC=CC=C4Cl

InChI

InChI=1S/C27H31ClN2O5/c1-18-21(14-25(35-18)27(2,3)4)26(32)30-11-9-29(10-12-30)15-20-13-23(31)24(17-33-20)34-16-19-7-5-6-8-22(19)28/h5-8,13-14,17H,9-12,15-16H2,1-4H3