CHEBI:125238 - (3S,4S)-3-[4-(hydroxymethyl)phenyl]-N-[2-(4-methoxyphenyl)ethyl]-4-methyl-2-(5-methyl-2-pyridinyl)-1-oxo-3H-isoquinoline-4-carboxamide

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ChEBI Name (3S,4S)-3-[4-(hydroxymethyl)phenyl]-N-[2-(4-methoxyphenyl)ethyl]-4-methyl-2-(5-methyl-2-pyridinyl)-1-oxo-3H-isoquinoline-4-carboxamide
ChEBI ID CHEBI:125238
Stars This entity has been manually annotated by a third party.
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Formula C33H33N3O4
Net Charge 0
Average Mass 535.634
Monoisotopic Mass 535.24711
InChI InChI=1S/C33H33N3O4/c1-22-8-17-29(35-20-22)36-30(25-13-9-24(21-37)10-14-25)33(2,28-7-5-4-6-27(28)31(36)38)32(39)34-19-18-23-11-15-26(40-3)16-12-23/h4-17,20,30,37H,18-19,21H2,1-3H3,(H,34,39)/t30-,33-/m0/s1
InChIKey VHWXMQJGUQQSOO-DITALETJSA-N
SMILES CC1=CN=C(C=C1)N2[C@H]([C@@](C3=CC=CC=C3C2=O)(C)C(=O)NCCC4=CC=C(C=C4)OC)C5=CC=C(C=C5)CO
ChEBI Ontology
Outgoing (3S,4S)-3-[4-(hydroxymethyl)phenyl]-N-[2-(4-methoxyphenyl)ethyl]-4-methyl-2-(5-methyl-2-pyridinyl)-1-oxo-3H-isoquinoline-4-carboxamide (CHEBI:125238) is a isoquinolines (CHEBI:24922)
Manual Xref Database
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