(E)-1-(2-fluoranyl-4-methoxy-phenyl)-3-[2-(4-methylpiperazin-1-yl)-5-thiophen-3-yl-phenyl]prop-2-en-1-one

Systemtic Name: (E)-1-(2-fluoranyl-4-methoxy-phenyl)-3-[2-(4-methylpiperazin-1-yl)-5-thiophen-3-yl-phenyl]prop-2-en-1-one Openeye Name: (E)-1-(2-fluoro-4-methoxy-phenyl)-3-[2-(4-methylpiperazin-1-yl)-5-(3-thienyl)phenyl]prop-2-en-1-one CAS Name: (E)-1-(2-fluoro-4-methoxyphenyl)-3-[2-(4-methyl-1-piperazinyl)-5-(3-thiophenyl)phenyl]-2-propen-1-one IUPAC Name: (E)-1-(2-fluoro-4-methoxyphenyl)-3-[2-(4-methylpiperazin-1-yl)-5-thiophen-3-ylphenyl]prop-2-en-1-one Traditional Name: (E)-1-(2-fluoro-4-methoxy-phenyl)-3-[2-(4-methylpiperazino)-5-(3-thienyl)phenyl]prop-2-en-1-one Formula: C25H25FN2O2S MolecularWeight: 436.541603

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=C(C=C2)C3=CSC=C3)C=CC(=O)C4=C(C=C(C=C4)OC)F

Isomeric SMILES

CN1CCN(CC1)C2=C(C=C(C=C2)C3=CSC=C3)/C=C/C(=O)C4=C(C=C(C=C4)OC)F

InChI

InChI=1S/C25H25FN2O2S/c1-27-10-12-28(13-11-27)24-7-3-18(20-9-14-31-17-20)15-19(24)4-8-25(29)22-6-5-21(30-2)16-23(22)26/h3-9,14-17H,10-13H2,1-2H3/b8-4+