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

Systemtic Name: 3-[(E)-2-[4,6-bis(oxidanyl)oxan-2-yl]ethenyl]-2-(4-chlorophenyl)-4-propan-2-yl-isoquinolin-1-one Openeye Name: 2-(4-chlorophenyl)-3-[(E)-2-(4,6-dihydroxytetrahydropyran-2-yl)vinyl]-4-isopropyl-isoquinolin-1-one CAS Name: 2-(4-chlorophenyl)-3-[(E)-2-(4,6-dihydroxy-2-oxanyl)ethenyl]-4-propan-2-yl-1-isoquinolinone IUPAC Name: 2-(4-chlorophenyl)-3-[(E)-2-(4,6-dihydroxyoxan-2-yl)ethenyl]-4-propan-2-ylisoquinolin-1-one Traditional Name: 2-(4-chlorophenyl)-3-[(E)-2-(4,6-dihydroxytetrahydropyran-2-yl)vinyl]-4-isopropyl-isocarbostyril Formula: C25H26ClNO4 MolecularWeight: 439.93124

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(N(C(=O)C2=CC=CC=C21)C3=CC=C(C=C3)Cl)C=CC4CC(CC(O4)O)O

Isomeric SMILES

CC(C)C1=C(N(C(=O)C2=CC=CC=C21)C3=CC=C(C=C3)Cl)/C=C/C4CC(CC(O4)O)O

InChI

InChI=1S/C25H26ClNO4/c1-15(2)24-20-5-3-4-6-21(20)25(30)27(17-9-7-16(26)8-10-17)22(24)12-11-19-13-18(28)14-23(29)31-19/h3-12,15,18-19,23,28-29H,13-14H2,1-2H3/b12-11+