CHEBI:129516 - 3-[4-[(8S,9S,10R)-6-[(2-fluorophenyl)methyl]-10-(hydroxymethyl)-1,6-diazabicyclo[6.2.0]decan-9-yl]phenyl]benzonitrile

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ChEBI Name 3-[4-[(8S,9S,10R)-6-[(2-fluorophenyl)methyl]-10-(hydroxymethyl)-1,6-diazabicyclo[6.2.0]decan-9-yl]phenyl]benzonitrile ChEBI ID CHEBI:129516 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C29H30FN3O Net Charge 0 Average Mass 455.567 Monoisotopic Mass 455.23729 InChI InChI=1S/C29H30FN3O/c30-26-9-2-1-7-25(26)18-32-14-3-4-15-33-27(19-32)29(28(33)20-34)23-12-10-22(11-13-23)24-8-5-6-21(16-24)17-31/h1-2,5-13,16,27-29,34H,3-4,14-15,18-20H2/t27-,28+,29+/m1/s1 InChIKey VQSQQTWXMLMOML-ULNSLHSMSA-N SMILES C1CCN2[C@H](CN(C1)CC3=CC=CC=C3F)[C@@H]([C@@H]2CO)C4=CC=C(C=C4)C5=CC=CC(=C5)C#N ChEBI Ontology Outgoing 3-[4-[(8S,9S,10R)-6-[(2-fluorophenyl)methyl]-10-(hydroxymethyl)-1,6-diazabicyclo[6.2.0]decan-9-yl]phenyl]benzonitrile (CHEBI:129516) is a biphenyls (CHEBI:22888) 3-[4-[(8S,9S,10R)-6-[(2-fluorophenyl)methyl]-10-(hydroxymethyl)-1,6-diazabicyclo[6.2.0]decan-9-yl]phenyl]benzonitrile (CHEBI:129516) is a nitrile (CHEBI:18379) Manual Xref Database LSM-41067 LINCS View more database links