N-(3,4-Dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-1,5-dimethyl-1H-pyrazole-3-carboxamide

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Systematic / IUPAC Name: N-(3,4-Dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-1,5-dimethyl-1H-pyrazole-3-carboxamide

ID: Reference6037

Other Names: 1H-Pyrazole-3-carboxamide, N-[(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]-1,5-dimethyl-

Formula: C16H19N3O3

Spectral Data

N-(3,4-Dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-1,5-dimethyl-1H-pyrazole-3-carboxamide mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 119
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 11/18/2016 2:20:51 PM
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Identificators

InChI InChI=1S/C16H19N3O3/c1-11-8-13(18-19(11)2)16(20)17-10-12-4-5-14-15(9-12)22-7-3-6-21-14/h4-5,8-9H,3,6-7,10H2,1-2H3,(H,17,20)
InChI Key UAABHCKZKFRIEE-UHFFFAOYSA-N
Canonical SMILES CC1=CC(=NN1C)C(=O)NCC2=CC3=C(C=C2)OCCCO3
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Other Names 1H-Pyrazole-3-carboxamide, N-[(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]-1,5-dimethyl-

In Other Databases

PubChem 2738498
ChemSpider 2020123