CHEBI:128504 - (1R,5S)-7-[4-(3-cyanophenyl)phenyl]-N-(3-fluorophenyl)-3,6-diazabicyclo[3.1.1]heptane-6-carboxamide

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ChEBI Name (1R,5S)-7-[4-(3-cyanophenyl)phenyl]-N-(3-fluorophenyl)-3,6-diazabicyclo[3.1.1]heptane-6-carboxamide
ChEBI ID CHEBI:128504
Stars This entity has been manually annotated by a third party.
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Formula C25H21FN4O
Net Charge 0
Average Mass 412.460
Monoisotopic Mass 412.16994
InChI InChI=1S/C25H21FN4O/c26-20-5-2-6-21(12-20)29-25(31)30-22-14-28-15-23(30)24(22)18-9-7-17(8-10-18)19-4-1-3-16(11-19)13-27/h1-12,22-24,28H,14-15H2,(H,29,31)/t22-,23+,24?
InChIKey ZMTUURPSCGUFNJ-VSGJHWFKSA-N
SMILES C1[C@@H]2C([C@@H](N2C(=O)NC3=CC(=CC=C3)F)CN1)C4=CC=C(C=C4)C5=CC=CC(=C5)C#N
ChEBI Ontology
Outgoing (1R,5S)-7-[4-(3-cyanophenyl)phenyl]-N-(3-fluorophenyl)-3,6-diazabicyclo[3.1.1]heptane-6-carboxamide (CHEBI:128504) is a biphenyls (CHEBI:22888)
(1R,5S)-7-[4-(3-cyanophenyl)phenyl]-N-(3-fluorophenyl)-3,6-diazabicyclo[3.1.1]heptane-6-carboxamide (CHEBI:128504) is a nitrile (CHEBI:18379)
Manual Xref Database
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