6,7-dimethoxy-4-[[4-(7-oxidanylidenecyclohepta-1,3,5-trien-1-yl)piperazin-1-yl]methyl]chromen-2-one

Systemtic Name: 6,7-dimethoxy-4-[[4-(7-oxidanylidenecyclohepta-1,3,5-trien-1-yl)piperazin-1-yl]methyl]chromen-2-one Openeye Name: 6,7-dimethoxy-4-[[4-(7-oxocyclohepta-1,3,5-trien-1-yl)piperazin-1-yl]methyl]chromen-2-one CAS Name: 6,7-dimethoxy-4-[[4-(7-oxo-1-cyclohepta-1,3,5-trienyl)-1-piperazinyl]methyl]-1-benzopyran-2-one IUPAC Name: 6,7-dimethoxy-4-[[4-(7-oxocyclohepta-1,3,5-trien-1-yl)piperazin-1-yl]methyl]chromen-2-one Traditional Name: 4-[[4-(7-ketocyclohepta-1,3,5-trien-1-yl)piperazino]methyl]-6,7-dimethoxy-coumarin Formula: C23H24N2O5 MolecularWeight: 408.44706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=CC(=O)O2)CN3CCN(CC3)C4=CC=CC=CC4=O)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=CC(=O)O2)CN3CCN(CC3)C4=CC=CC=CC4=O)OC

InChI

InChI=1S/C23H24N2O5/c1-28-21-13-17-16(12-23(27)30-20(17)14-22(21)29-2)15-24-8-10-25(11-9-24)18-6-4-3-5-7-19(18)26/h3-7,12-14H,8-11,15H2,1-2H3