CHEBI:126117 - (8R,9R,10R)-9-[4-(3-cyanophenyl)phenyl]-10-(hydroxymethyl)-N-phenyl-1,6-diazabicyclo[6.2.0]decane-6-carboxamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (8R,9R,10R)-9-[4-(3-cyanophenyl)phenyl]-10-(hydroxymethyl)-N-phenyl-1,6-diazabicyclo[6.2.0]decane-6-carboxamide
ChEBI ID CHEBI:126117
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C29H30N4O2
Net Charge 0
Average Mass 466.575
Monoisotopic Mass 466.23688
InChI InChI=1S/C29H30N4O2/c30-18-21-7-6-8-24(17-21)22-11-13-23(14-12-22)28-26-19-32(15-4-5-16-33(26)27(28)20-34)29(35)31-25-9-2-1-3-10-25/h1-3,6-14,17,26-28,34H,4-5,15-16,19-20H2,(H,31,35)/t26-,27-,28+/m0/s1
InChIKey XVJXRFRHWWJGLK-HZFUHODCSA-N
SMILES C1CCN2[C@@H](CN(C1)C(=O)NC3=CC=CC=C3)[C@H]([C@@H]2CO)C4=CC=C(C=C4)C5=CC=CC(=C5)C#N
ChEBI Ontology
Outgoing (8R,9R,10R)-9-[4-(3-cyanophenyl)phenyl]-10-(hydroxymethyl)-N-phenyl-1,6-diazabicyclo[6.2.0]decane-6-carboxamide (CHEBI:126117) is a biphenyls (CHEBI:22888)
(8R,9R,10R)-9-[4-(3-cyanophenyl)phenyl]-10-(hydroxymethyl)-N-phenyl-1,6-diazabicyclo[6.2.0]decane-6-carboxamide (CHEBI:126117) is a nitrile (CHEBI:18379)
Manual Xref Database
LSM-37684 LINCS
View more database links