CHEBI:104978 - 4-[(4-tert-butylphenyl)-oxomethyl]-N-[3-(1-imidazolyl)propyl]-1H-pyrrole-2-carboxamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 4-[(4-tert-butylphenyl)-oxomethyl]-N-[3-(1-imidazolyl)propyl]-1H-pyrrole-2-carboxamide
ChEBI ID CHEBI:104978
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C22H26N4O2
Net Charge 0
Average Mass 378.468
Monoisotopic Mass 378.20558
InChI InChI=1S/C22H26N4O2/c1-22(2,3)18-7-5-16(6-8-18)20(27)17-13-19(25-14-17)21(28)24-9-4-11-26-12-10-23-15-26/h5-8,10,12-15,25H,4,9,11H2,1-3H3,(H,24,28)
InChIKey DQOXDNAAMXCTPB-UHFFFAOYSA-N
SMILES CC(C)(C)C1=CC=C(C=C1)C(=O)C2=CNC(=C2)C(=O)NCCCN3C=CN=C3
ChEBI Ontology
Outgoing 4-[(4-tert-butylphenyl)-oxomethyl]-N-[3-(1-imidazolyl)propyl]-1H-pyrrole-2-carboxamide (CHEBI:104978) is a aromatic ketone (CHEBI:76224)
Manual Xref Database
LSM-16341 LINCS
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