CHEBI:125082 - (1S,5R)-7-[4-(3-cyanophenyl)phenyl]-N-(2-methoxyphenyl)-3,6-diazabicyclo[3.1.1]heptane-3-carboxamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (1S,5R)-7-[4-(3-cyanophenyl)phenyl]-N-(2-methoxyphenyl)-3,6-diazabicyclo[3.1.1]heptane-3-carboxamide
ChEBI ID CHEBI:125082
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C26H24N4O2
Net Charge 0
Average Mass 424.495
Monoisotopic Mass 424.18993
InChI InChI=1S/C26H24N4O2/c1-32-24-8-3-2-7-21(24)29-26(31)30-15-22-25(23(16-30)28-22)19-11-9-18(10-12-19)20-6-4-5-17(13-20)14-27/h2-13,22-23,25,28H,15-16H2,1H3,(H,29,31)/t22-,23+,25?
InChIKey KZGDUPVRHRQTLE-HCGNOCCLSA-N
SMILES COC1=CC=CC=C1NC(=O)N2C[C@@H]3C([C@H](C2)N3)C4=CC=C(C=C4)C5=CC=CC(=C5)C#N
ChEBI Ontology
Outgoing (1S,5R)-7-[4-(3-cyanophenyl)phenyl]-N-(2-methoxyphenyl)-3,6-diazabicyclo[3.1.1]heptane-3-carboxamide (CHEBI:125082) is a biphenyls (CHEBI:22888)
(1S,5R)-7-[4-(3-cyanophenyl)phenyl]-N-(2-methoxyphenyl)-3,6-diazabicyclo[3.1.1]heptane-3-carboxamide (CHEBI:125082) is a nitrile (CHEBI:18379)
Manual Xref Database
LSM-36544 LINCS
View more database links