4-(Dimethylamino)-N-[(4R,7S,8aS)-1-oxo-4-{3-oxo-3-[(3-pyridinylmethyl)amino]propyl}octahydropyrrolo[1,2-a]pyrazin-7-yl]benzamide

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Systematic / IUPAC Name: N-[(4R,7S,8aS)-1-Oxo-4-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-7-yl]-4-(dimethylamino)benzamide

ID: Reference12201

Other Names: NAT23-379680

Formula: C25H32N6O3

Spectral Data

4-(Dimethylamino)-N-[(4R,7S,8aS)-1-oxo-4-{3-oxo-3-[(3-pyridinylmethyl)amino]propyl}octahydropyrrolo[1,2-a]pyrazin-7-yl]benzamide 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 1
No. of Spectra 300
Tandem Spectra MS1, MS2, MS3
Ionization Methods NSI
Analyzers FT
Last Modification 2/1/2023 4:26:38 PM
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Identificators

InChI InChI=1S/C25H32N6O3/c1-30(2)20-7-5-18(6-8-20)24(33)29-19-12-22-25(34)28-15-21(31(22)16-19)9-10-23(32)27-14-17-4-3-11-26-13-17/h3-8,11,13,19,21-22H,9-10,12,14-16H2,1-2H3,(H,27,32)(H,28,34)(H,29,33)/t19-,21+,22-/m0/s1
InChI Key PHTZHPFFYQLJFR-NNWRFLSQSA-N
Canonical SMILES CN(C)C1=CC=C(C=C1)C(=O)NC2CC3C(=O)NCC(N3C2)CCC(=O)NCC4=CN=CC=C4
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Other Names NAT23-379680

In Other Databases

PubChem 26762363
ChemSpider 21382601