CHEBI:125924 - (1R,5S)-7-[4-(4-cyanophenyl)phenyl]-N-cyclohexyl-3,6-diazabicyclo[3.1.1]heptane-6-carboxamide

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ChEBI Name (1R,5S)-7-[4-(4-cyanophenyl)phenyl]-N-cyclohexyl-3,6-diazabicyclo[3.1.1]heptane-6-carboxamide
ChEBI ID CHEBI:125924
Stars This entity has been manually annotated by a third party.
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Formula C25H28N4O
Net Charge 0
Average Mass 400.517
Monoisotopic Mass 400.22631
InChI InChI=1S/C25H28N4O/c26-14-17-6-8-18(9-7-17)19-10-12-20(13-11-19)24-22-15-27-16-23(24)29(22)25(30)28-21-4-2-1-3-5-21/h6-13,21-24,27H,1-5,15-16H2,(H,28,30)/t22-,23+,24?
InChIKey AVQSPESFKIDNPH-VSGJHWFKSA-N
SMILES C1CCC(CC1)NC(=O)N2[C@@H]3CNC[C@H]2C3C4=CC=C(C=C4)C5=CC=C(C=C5)C#N
ChEBI Ontology
Outgoing (1R,5S)-7-[4-(4-cyanophenyl)phenyl]-N-cyclohexyl-3,6-diazabicyclo[3.1.1]heptane-6-carboxamide (CHEBI:125924) is a biphenyls (CHEBI:22888)
(1R,5S)-7-[4-(4-cyanophenyl)phenyl]-N-cyclohexyl-3,6-diazabicyclo[3.1.1]heptane-6-carboxamide (CHEBI:125924) is a nitrile (CHEBI:18379)
Manual Xref Database
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