(E)-3-[4-(4-fluorophenyl)-1-oxidanylidene-2-propan-2-yl-isoquinolin-3-yl]prop-2-enoyl chloride

Systemtic Name: (E)-3-[4-(4-fluorophenyl)-1-oxidanylidene-2-propan-2-yl-isoquinolin-3-yl]prop-2-enoyl chloride Openeye Name: (E)-3-[4-(4-fluorophenyl)-2-isopropyl-1-oxo-3-isoquinolyl]prop-2-enoyl chloride CAS Name: (E)-3-[4-(4-fluorophenyl)-1-oxo-2-propan-2-yl-3-isoquinolinyl]-2-propenoyl chloride IUPAC Name: (E)-3-[4-(4-fluorophenyl)-1-oxo-2-propan-2-ylisoquinolin-3-yl]prop-2-enoyl chloride Traditional Name: (E)-3-[4-(4-fluorophenyl)-2-isopropyl-1-keto-3-isoquinolyl]acryloyl chloride Formula: C21H17ClFNO2 MolecularWeight: 369.816583

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=C(C2=CC=CC=C2C1=O)C3=CC=C(C=C3)F)C=CC(=O)Cl

Isomeric SMILES

CC(C)N1C(=C(C2=CC=CC=C2C1=O)C3=CC=C(C=C3)F)/C=C/C(=O)Cl

InChI

InChI=1S/C21H17ClFNO2/c1-13(2)24-18(11-12-19(22)25)20(14-7-9-15(23)10-8-14)16-5-3-4-6-17(16)21(24)26/h3-13H,1-2H3/b12-11+