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Concept information

... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > isoquinolines > 4-(3,4-dihydro-1h-isoquinolin-2-ylmethyl)-n-[4-(1-pyrrolidinylsulfonyl)phenyl]benzamide
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > isoquinolines > 4-(3,4-dihydro-1h-isoquinolin-2-ylmethyl)-n-[4-(1-pyrrolidinylsulfonyl)phenyl]benzamide
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > isoquinolines > 4-(3,4-dihydro-1h-isoquinolin-2-ylmethyl)-n-[4-(1-pyrrolidinylsulfonyl)phenyl]benzamide
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > isoquinolines > 4-(3,4-dihydro-1h-isoquinolin-2-ylmethyl)-n-[4-(1-pyrrolidinylsulfonyl)phenyl]benzamide

Preferred term

4-(3,4-dihydro-1h-isoquinolin-2-ylmethyl)-n-[4-(1-pyrrolidinylsulfonyl)phenyl]benzamide  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C27H29N3O3S

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

mass

  • 475.605

monoisotopicmass

  • 475.19296

smiles

  • C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)CN4CCC5=CC=CC=C5C4

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:108418

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