6-ethyl-4-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-7-oxidanyl-chromen-2-one

Systemtic Name: 6-ethyl-4-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-7-oxidanyl-chromen-2-one Openeye Name: 6-ethyl-7-hydroxy-4-[[4-(o-tolyl)piperazin-1-yl]methyl]chromen-2-one CAS Name: 6-ethyl-7-hydroxy-4-[[4-(2-methylphenyl)-1-piperazinyl]methyl]-1-benzopyran-2-one IUPAC Name: 6-ethyl-7-hydroxy-4-[[4-(2-methylphenyl)piperazin-1-yl]methyl]chromen-2-one Traditional Name: 6-ethyl-7-hydroxy-4-[[4-(o-tolyl)piperazino]methyl]coumarin Formula: C23H26N2O3 MolecularWeight: 378.46414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CN3CCN(CC3)C4=CC=CC=C4C)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CN3CCN(CC3)C4=CC=CC=C4C)O

InChI

InChI=1S/C23H26N2O3/c1-3-17-12-19-18(13-23(27)28-22(19)14-21(17)26)15-24-8-10-25(11-9-24)20-7-5-4-6-16(20)2/h4-7,12-14,26H,3,8-11,15H2,1-2H3