ethyl (E)-3-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]-2-fluoranyl-phenyl]prop-2-enoate

Systemtic Name: ethyl (E)-3-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]-2-fluoranyl-phenyl]prop-2-enoate Openeye Name: ethyl (E)-3-[4-[1-(4-ethylpiperazin-1-yl)-3-isoquinolyl]-2-fluoro-phenyl]prop-2-enoate CAS Name: (E)-3-[4-[1-(4-ethyl-1-piperazinyl)-3-isoquinolinyl]-2-fluorophenyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]-2-fluorophenyl]prop-2-enoate Traditional Name: (E)-3-[4-[1-(4-ethylpiperazino)-3-isoquinolyl]-2-fluoro-phenyl]acrylic acid ethyl ester Formula: C26H28FN3O2 MolecularWeight: 433.517823

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CC(=C(C=C4)C=CC(=O)OCC)F

Isomeric SMILES

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CC(=C(C=C4)/C=C/C(=O)OCC)F

InChI

InChI=1S/C26H28FN3O2/c1-3-29-13-15-30(16-14-29)26-22-8-6-5-7-20(22)18-24(28-26)21-10-9-19(23(27)17-21)11-12-25(31)32-4-2/h5-12,17-18H,3-4,13-16H2,1-2H3/b12-11+