6-tert-butyl-4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]chromen-2-one

Systemtic Name: 6-tert-butyl-4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]chromen-2-one Openeye Name: 6-tert-butyl-4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]chromen-2-one CAS Name: 6-tert-butyl-4-[[4-(4-fluorophenyl)-1-piperazinyl]methyl]-1-benzopyran-2-one IUPAC Name: 6-tert-butyl-4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]chromen-2-one Traditional Name: 6-tert-butyl-4-[[4-(4-fluorophenyl)piperazino]methyl]coumarin Formula: C24H27FN2O2 MolecularWeight: 394.481783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C=C1)OC(=O)C=C2CN3CCN(CC3)C4=CC=C(C=C4)F

Isomeric SMILES

CC(C)(C)C1=CC2=C(C=C1)OC(=O)C=C2CN3CCN(CC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C24H27FN2O2/c1-24(2,3)18-4-9-22-21(15-18)17(14-23(28)29-22)16-26-10-12-27(13-11-26)20-7-5-19(25)6-8-20/h4-9,14-15H,10-13,16H2,1-3H3