3-[(E)-2-[4,6-bis(oxidanyl)oxan-2-yl]ethenyl]-2-(3,5-dimethylphenyl)-4-propan-2-yl-isoquinolin-1-one

Systemtic Name: 3-[(E)-2-[4,6-bis(oxidanyl)oxan-2-yl]ethenyl]-2-(3,5-dimethylphenyl)-4-propan-2-yl-isoquinolin-1-one Openeye Name: 3-[(E)-2-(4,6-dihydroxytetrahydropyran-2-yl)vinyl]-2-(3,5-dimethylphenyl)-4-isopropyl-isoquinolin-1-one CAS Name: 3-[(E)-2-(4,6-dihydroxy-2-oxanyl)ethenyl]-2-(3,5-dimethylphenyl)-4-propan-2-yl-1-isoquinolinone IUPAC Name: 3-[(E)-2-(4,6-dihydroxyoxan-2-yl)ethenyl]-2-(3,5-dimethylphenyl)-4-propan-2-ylisoquinolin-1-one Traditional Name: 3-[(E)-2-(4,6-dihydroxytetrahydropyran-2-yl)vinyl]-2-(3,5-dimethylphenyl)-4-isopropyl-isocarbostyril Formula: C27H31NO4 MolecularWeight: 433.53934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C(=C(C3=CC=CC=C3C2=O)C(C)C)C=CC4CC(CC(O4)O)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=C(C3=CC=CC=C3C2=O)C(C)C)/C=C/C4CC(CC(O4)O)O)C

InChI

InChI=1S/C27H31NO4/c1-16(2)26-22-7-5-6-8-23(22)27(31)28(19-12-17(3)11-18(4)13-19)24(26)10-9-21-14-20(29)15-25(30)32-21/h5-13,16,20-21,25,29-30H,14-15H2,1-4H3/b10-9+