CHEBI:125259 - (3R,4R)-3-[4-(hydroxymethyl)phenyl]-N-(3-methoxypropyl)-2-(5-methyl-2-pyridinyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (3R,4R)-3-[4-(hydroxymethyl)phenyl]-N-(3-methoxypropyl)-2-(5-methyl-2-pyridinyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide
ChEBI ID CHEBI:125259
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C27H29N3O4
Net Charge 0
Average Mass 459.538
Monoisotopic Mass 459.21581
InChI InChI=1S/C27H29N3O4/c1-18-8-13-23(29-16-18)30-25(20-11-9-19(17-31)10-12-20)24(26(32)28-14-5-15-34-2)21-6-3-4-7-22(21)27(30)33/h3-4,6-13,16,24-25,31H,5,14-15,17H2,1-2H3,(H,28,32)/t24-,25+/m1/s1
InChIKey JVKHVZTXTKKTRY-RPBOFIJWSA-N
SMILES CC1=CN=C(C=C1)N2[C@H]([C@@H](C3=CC=CC=C3C2=O)C(=O)NCCCOC)C4=CC=C(C=C4)CO
ChEBI Ontology
Outgoing (3R,4R)-3-[4-(hydroxymethyl)phenyl]-N-(3-methoxypropyl)-2-(5-methyl-2-pyridinyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide (CHEBI:125259) is a isoquinolines (CHEBI:24922)
Manual Xref Database
LSM-36729 LINCS
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