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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)OC(=O)C=C2CN3CCN(CC3)CC4=CC=CC=C4F

Isomeric SMILES

CCOC1=CC2=C(C=C1)OC(=O)C=C2CN3CCN(CC3)CC4=CC=CC=C4F

InChI

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