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

Systemtic Name: 2-cyclohexyl-3-[(E)-2-(4-oxidanyl-6-oxidanylidene-oxan-2-yl)ethenyl]-4-propan-2-yl-isoquinolin-1-one Openeye Name: 2-cyclohexyl-3-[(E)-2-(4-hydroxy-6-oxo-tetrahydropyran-2-yl)vinyl]-4-isopropyl-isoquinolin-1-one CAS Name: 2-cyclohexyl-3-[(E)-2-(4-hydroxy-6-oxo-2-oxanyl)ethenyl]-4-propan-2-yl-1-isoquinolinone IUPAC Name: 2-cyclohexyl-3-[(E)-2-(4-hydroxy-6-oxooxan-2-yl)ethenyl]-4-propan-2-ylisoquinolin-1-one Traditional Name: 2-cyclohexyl-3-[(E)-2-(4-hydroxy-6-keto-tetrahydropyran-2-yl)vinyl]-4-isopropyl-isocarbostyril Formula: C25H31NO4 MolecularWeight: 409.51794

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(N(C(=O)C2=CC=CC=C21)C3CCCCC3)C=CC4CC(CC(=O)O4)O

Isomeric SMILES

CC(C)C1=C(N(C(=O)C2=CC=CC=C21)C3CCCCC3)/C=C/C4CC(CC(=O)O4)O

InChI

InChI=1S/C25H31NO4/c1-16(2)24-20-10-6-7-11-21(20)25(29)26(17-8-4-3-5-9-17)22(24)13-12-19-14-18(27)15-23(28)30-19/h6-7,10-13,16-19,27H,3-5,8-9,14-15H2,1-2H3/b13-12+