CHEBI:108418 - 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[4-(1-pyrrolidinylsulfonyl)phenyl]benzamide

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ChEBI Name 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[4-(1-pyrrolidinylsulfonyl)phenyl]benzamide
ChEBI ID CHEBI:108418
Stars This entity has been manually annotated by a third party.
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Formula C27H29N3O3S
Net Charge 0
Average Mass 475.605
Monoisotopic Mass 475.19296
InChI InChI=1S/C27H29N3O3S/c31-27(28-25-11-13-26(14-12-25)34(32,33)30-16-3-4-17-30)23-9-7-21(8-10-23)19-29-18-15-22-5-1-2-6-24(22)20-29/h1-2,5-14H,3-4,15-20H2,(H,28,31)
InChIKey IDQGIAKHENYTHX-UHFFFAOYSA-N
SMILES C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)CN4CCC5=CC=CC=C5C4
ChEBI Ontology
Outgoing 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[4-(1-pyrrolidinylsulfonyl)phenyl]benzamide (CHEBI:108418) is a isoquinolines (CHEBI:24922)
Manual Xref Database
LSM-19794 LINCS
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