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CHEBI:107432 - (3R,3aS,7R,7aS)-3-[4-[4-(dimethylamino)phenyl]-2-fluorophenyl]-7-methyl-2-(phenylmethyl)-3a,6,7,7a-tetrahydro-3H-isoindol-1-one

ChEBI IDCHEBI:107432
ChEBI Name(3R,3aS,7R,7aS)-3-[4-[4-(dimethylamino)phenyl]-2-fluorophenyl]-7-methyl-2-(phenylmethyl)-3a,6,7,7a-tetrahydro-3H-isoindol-1-one
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DownloadsMolfile
FormulaC30H31FN2O
Net Charge0
Average Mass454.589
Monoisotopic Mass454.24204
SMILESC[C@@H]1CC=C[C@H]2[C@H]1C(=O)N(Cc1ccccc1)[C@H]2c1ccc(-c2ccc(N(C)C)cc2)cc1F
InChIInChI=1S/C30H31FN2O/c1-20-8-7-11-26-28(20)30(34)33(19-21-9-5-4-6-10-21)29(26)25-17-14-23(18-27(25)31)22-12-15-24(16-13-22)32(2)3/h4-7,9-18,20,26,28-29H,8,19H2,1-3H3/t20-,26+,28+,29+/m1/s1
InChIKeyOGOYFYBJGOZDCJ-SZOMIKIBSA-N
ChEBI Ontology
Outgoing Relation(s)
(3R,3aS,7R,7aS)-3-[4-[4-(dimethylamino)phenyl]-2-fluorophenyl]-7-methyl-2-(phenylmethyl)-3a,6,7,7a-tetrahydro-3H-isoindol-1-one (CHEBI:107432) is a biphenyls (CHEBI:22888)
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