6-tert-butyl-4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]chromen-2-one

Systemtic Name: 6-tert-butyl-4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]chromen-2-one Openeye Name: 6-tert-butyl-4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]chromen-2-one CAS Name: 6-tert-butyl-4-[[4-(3-chlorophenyl)-1-piperazinyl]methyl]-1-benzopyran-2-one IUPAC Name: 6-tert-butyl-4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]chromen-2-one Traditional Name: 6-tert-butyl-4-[[4-(3-chlorophenyl)piperazino]methyl]coumarin Formula: C24H27ClN2O2 MolecularWeight: 410.93638

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(=CC=C4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C24H27ClN2O2/c1-24(2,3)18-7-8-22-21(14-18)17(13-23(28)29-22)16-26-9-11-27(12-10-26)20-6-4-5-19(25)15-20/h4-8,13-15H,9-12,16H2,1-3H3