4-[[4-(4-fluorophenyl)carbonylpiperazin-1-yl]methyl]-7-methoxy-chromen-2-one

Systemtic Name: 4-[[4-(4-fluorophenyl)carbonylpiperazin-1-yl]methyl]-7-methoxy-chromen-2-one Openeye Name: 4-[[4-(4-fluorobenzoyl)piperazin-1-yl]methyl]-7-methoxy-chromen-2-one CAS Name: 4-[[4-[(4-fluorophenyl)-oxomethyl]-1-piperazinyl]methyl]-7-methoxy-1-benzopyran-2-one IUPAC Name: 4-[[4-(4-fluorobenzoyl)piperazin-1-yl]methyl]-7-methoxychromen-2-one Traditional Name: 4-[[4-(4-fluorobenzoyl)piperazino]methyl]-7-methoxy-coumarin Formula: C22H21FN2O4 MolecularWeight: 396.411543

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)CN3CCN(CC3)C(=O)C4=CC=C(C=C4)F

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)CN3CCN(CC3)C(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H21FN2O4/c1-28-18-6-7-19-16(12-21(26)29-20(19)13-18)14-24-8-10-25(11-9-24)22(27)15-2-4-17(23)5-3-15/h2-7,12-13H,8-11,14H2,1H3