4-[[4-[(2-chloranyl-4-fluoranyl-phenyl)methyl]piperazin-1-yl]methyl]-6-ethoxy-chromen-2-one

Systemtic Name: 4-[[4-[(2-chloranyl-4-fluoranyl-phenyl)methyl]piperazin-1-yl]methyl]-6-ethoxy-chromen-2-one Openeye Name: 4-[[4-[(2-chloro-4-fluoro-phenyl)methyl]piperazin-1-yl]methyl]-6-ethoxy-chromen-2-one CAS Name: 4-[[4-[(2-chloro-4-fluorophenyl)methyl]-1-piperazinyl]methyl]-6-ethoxy-1-benzopyran-2-one IUPAC Name: 4-[[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]methyl]-6-ethoxychromen-2-one Traditional Name: 4-[[4-(2-chloro-4-fluoro-benzyl)piperazino]methyl]-6-ethoxy-coumarin Formula: C23H24ClFN2O3 MolecularWeight: 430.899663

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24ClFN2O3/c1-2-29-19-5-6-22-20(13-19)17(11-23(28)30-22)15-27-9-7-26(8-10-27)14-16-3-4-18(25)12-21(16)24/h3-6,11-13H,2,7-10,14-15H2,1H3