2-[(14E,16S,17S)-2-Oxo-8-(1-piperazinyl)-12-oxa-1,4-diazatricyclo[14.3.1.06,11]icosa-6,8,10,14-tetraen-17-yl]-N-(3-pyridinylmethyl)acetamide

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Systematic / IUPAC Name: 2-[(14E,16S,17S)-2-Oxo-8-piperazin-1-yl-12-oxa-1,4-diazatricyclo[14.3.1.06,11]icosa-6(11),7,9,14-tetraen-17-yl]-N-(pyridin-3-ylmethyl)acetamide

ID: Reference10121

Other Names: 2H-5,9-Methano-1,9,12-benzoxadiazacyclopentadecine-6-acetamide, 5,6,7,8,10,11,12,13-octahydro-10-oxo-15-(1-piperazinyl)-N-(3-pyridinylmethyl)-, (3E,5S,6S)-;
MC14-529590

Formula: C29H38N6O3

Spectral Data

2-[(14E,16S,17S)-2-Oxo-8-(1-piperazinyl)-12-oxa-1,4-diazatricyclo[14.3.1.06,11]icosa-6,8,10,14-tetraen-17-yl]-N-(3-pyridinylmethyl)acetamide 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 Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 2
No. of Spectra 5010
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 12/3/2020 2:00:05 PM
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Identificators

InChI InChI=1S/C29H38N6O3/c36-28(33-18-22-3-1-8-31-17-22)16-23-7-11-35-21-24(23)4-2-14-38-27-6-5-26(34-12-9-30-10-13-34)15-25(27)19-32-20-29(35)37/h1-6,8,15,17,23-24,30,32H,7,9-14,16,18-21H2,(H,33,36)/b4-2+/t23-,24-/m0/s1
InChI Key NJHMIFJYENCFAT-REPBSQRQSA-N
Canonical SMILES C1CN2CC(C1CC(=O)NCC3=CN=CC=C3)C=CCOC4=C(CNCC2=O)C=C(C=C4)N5CCNCC5
CAS
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Other Names 2H-5,9-Methano-1,9,12-benzoxadiazacyclopentadecine-6-acetamide, 5,6,7,8,10,11,12,13-octahydro-10-oxo-15-(1-piperazinyl)-N-(3-pyridinylmethyl)-, (3E,5S,6S)-;
MC14-529590

In Other Databases

PubChem 71694358
ChemSpider 65321161