(E)-1-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-fluoranyl-4-methoxy-phenyl)prop-2-en-1-one

Systemtic Name: (E)-1-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-fluoranyl-4-methoxy-phenyl)prop-2-en-1-one Openeye Name: (E)-1-[6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-(3-fluoro-4-methoxy-phenyl)prop-2-en-1-one CAS Name: (E)-1-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-fluoro-4-methoxyphenyl)-2-propen-1-one IUPAC Name: (E)-1-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-fluoro-4-methoxyphenyl)prop-2-en-1-one Traditional Name: (E)-1-[6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-(3-fluoro-4-methoxy-phenyl)prop-2-en-1-one Formula: C25H24FNO4S MolecularWeight: 453.525763

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)N2CCC3=CC(=C(C=C3C2C4=CC=CS4)OC)OC)F

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)N2CCC3=CC(=C(C=C3C2C4=CC=CS4)OC)OC)F

InChI

InChI=1S/C25H24FNO4S/c1-29-20-8-6-16(13-19(20)26)7-9-24(28)27-11-10-17-14-21(30-2)22(31-3)15-18(17)25(27)23-5-4-12-32-23/h4-9,12-15,25H,10-11H2,1-3H3/b9-7+