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Chemistry, part 3

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > oxygen molecular entity > organooxygen compound > carbonyl compound > ketone > aromatic ketone > (3r,3as,7r,7as)-3-[3-(4-acetylphenyl)-4-fluorophenyl]-7-methyl-2-(phenylmethyl)-3a,6,7,7a-tetrahydro-3h-isoindol-1-one
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > organochalcogen compound > organooxygen compound > carbonyl compound > ketone > aromatic ketone > (3r,3as,7r,7as)-3-[3-(4-acetylphenyl)-4-fluorophenyl]-7-methyl-2-(phenylmethyl)-3a,6,7,7a-tetrahydro-3h-isoindol-1-one
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > heteroorganic entity > organochalcogen compound > organooxygen compound > carbonyl compound > ketone > aromatic ketone > (3r,3as,7r,7as)-3-[3-(4-acetylphenyl)-4-fluorophenyl]-7-methyl-2-(phenylmethyl)-3a,6,7,7a-tetrahydro-3h-isoindol-1-one
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic oxo compound > carbonyl compound > ketone > aromatic ketone > (3r,3as,7r,7as)-3-[3-(4-acetylphenyl)-4-fluorophenyl]-7-methyl-2-(phenylmethyl)-3a,6,7,7a-tetrahydro-3h-isoindol-1-one
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > ketone > aromatic ketone > (3r,3as,7r,7as)-3-[3-(4-acetylphenyl)-4-fluorophenyl]-7-methyl-2-(phenylmethyl)-3a,6,7,7a-tetrahydro-3h-isoindol-1-one

Preferred term

(3r,3as,7r,7as)-3-[3-(4-acetylphenyl)-4-fluorophenyl]-7-methyl-2-(phenylmethyl)-3a,6,7,7a-tetrahydro-3h-isoindol-1-one  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C30H28FNO2

inchi

  • InChI=1S/C30H28FNO2/c1-19-7-6-10-25-28(19)30(34)32(18-21-8-4-3-5-9-21)29(25)24-15-16-27(31)26(17-24)23-13-11-22(12-14-23)20(2)33/h3-6,8-17,19,25,28-29H,7,18H2,1-2H3/t19-,25+,28+,29+/m1/s1

inchikey

  • DNDVOBNXWAHKHM-WFGXUNSGSA-N

mass

  • 453.548

monoisotopicmass

  • 453.21041

smiles

  • C[C@@H]1CC=C[C@H]2[C@H]1C(=O)N([C@H]2C3=CC(=C(C=C3)F)C4=CC=C(C=C4)C(=O)C)CC5=CC=CC=C5

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:116732

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