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Substance Name: 3H-Pyrazol-3-one, 1,2-dihydro-5-amino-1-phenyl-4-(tetrahydro-2,2-dimethyl-2H-pyran-4-yl)-
RN: 115596-45-7
InChIKey: AFDYWVIXIRYEPN-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C16-H21-N3-O2

Molecular Weight

  • 287.3609
 
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Names and Synonyms

Synonym

  • BRN 5584755

Systematic Name

  • 3H-Pyrazol-3-one, 1,2-dihydro-5-amino-1-phenyl-4-(tetrahydro-2,2-dimethyl-2H-pyran-4-yl)-

Registry Numbers

CAS Registry Number

  • 115596-45-7

System Generated Number

  • 0115596457

Structure Descriptors

InChI

1S/C16H21N3O2/c1-16(2)10-11(8-9-21-16)13-14(17)19(18-15(13)20)12-6-4-3-5-7-12/h3-7,11H,8-10,17H2,1-2H3,(H,18,20)

InChIKey

AFDYWVIXIRYEPN-UHFFFAOYSA-N

Smiles

CC1(CC(CCO1)c2c(n([nH]c2=O)c3ccccc3)N)C