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

Systemtic Name: 6-ethoxy-4-[[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methyl]chromen-2-one Openeye Name: 6-ethoxy-4-[[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methyl]chromen-2-one CAS Name: 6-ethoxy-4-[[4-[(4-fluorophenyl)methyl]-1-piperazinyl]methyl]-1-benzopyran-2-one IUPAC Name: 6-ethoxy-4-[[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methyl]chromen-2-one Traditional Name: 6-ethoxy-4-[[4-(4-fluorobenzyl)piperazino]methyl]coumarin Formula: C23H25FN2O3 MolecularWeight: 396.454603

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)OC(=O)C=C2CN3CCN(CC3)CC4=CC=C(C=C4)F

Isomeric SMILES

CCOC1=CC2=C(C=C1)OC(=O)C=C2CN3CCN(CC3)CC4=CC=C(C=C4)F

InChI

InChI=1S/C23H25FN2O3/c1-2-28-20-7-8-22-21(14-20)18(13-23(27)29-22)16-26-11-9-25(10-12-26)15-17-3-5-19(24)6-4-17/h3-8,13-14H,2,9-12,15-16H2,1H3