2-(cyclopropylmethyl)-4-(4-fluorophenyl)-3-[(E)-2-(4-oxidanyl-6-oxidanylidene-oxan-2-yl)ethenyl]isoquinolin-1-one

Systemtic Name: 2-(cyclopropylmethyl)-4-(4-fluorophenyl)-3-[(E)-2-(4-oxidanyl-6-oxidanylidene-oxan-2-yl)ethenyl]isoquinolin-1-one Openeye Name: 2-(cyclopropylmethyl)-4-(4-fluorophenyl)-3-[(E)-2-(4-hydroxy-6-oxo-tetrahydropyran-2-yl)vinyl]isoquinolin-1-one CAS Name: 2-(cyclopropylmethyl)-4-(4-fluorophenyl)-3-[(E)-2-(4-hydroxy-6-oxo-2-oxanyl)ethenyl]-1-isoquinolinone IUPAC Name: 2-(cyclopropylmethyl)-4-(4-fluorophenyl)-3-[(E)-2-(4-hydroxy-6-oxooxan-2-yl)ethenyl]isoquinolin-1-one Traditional Name: 2-(cyclopropylmethyl)-4-(4-fluorophenyl)-3-[(E)-2-(4-hydroxy-6-keto-tetrahydropyran-2-yl)vinyl]isocarbostyril Formula: C26H24FNO4 MolecularWeight: 433.471463

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1CN2C(=C(C3=CC=CC=C3C2=O)C4=CC=C(C=C4)F)C=CC5CC(CC(=O)O5)O

Isomeric SMILES

C1CC1CN2C(=C(C3=CC=CC=C3C2=O)C4=CC=C(C=C4)F)/C=C/C5CC(CC(=O)O5)O

InChI

InChI=1S/C26H24FNO4/c27-18-9-7-17(8-10-18)25-21-3-1-2-4-22(21)26(31)28(15-16-5-6-16)23(25)12-11-20-13-19(29)14-24(30)32-20/h1-4,7-12,16,19-20,29H,5-6,13-15H2/b12-11+