N-[5,10-Dioxo-1-(2-thienylacetyl)dodecahydrodipyrrolo[1,2-a:3',2'-E][1,4]diazepin-7-yl]cyclopropanecarboxamide

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Systematic / IUPAC Name: N-[2,9-Dioxo-4-(2-thiophen-2-ylacetyl)-1,4,8-triazatricyclo[8.3.0.03,7]tridecan-12-yl]cyclopropanecarboxamide

ID: Reference9554

Other Names: Cyclopropanecarboxamide, N-[dodecahydro-5,10-dioxo-1-[2-(2-thienyl)acetyl]dipyrrolo[1,2-a:3',2'-E][1,4]diazepin-7-yl]-;
NAT3-188058

Formula: C20H24N4O4S

Spectral Data

N-[5,10-Dioxo-1-(2-thienylacetyl)dodecahydrodipyrrolo[1,2-a:3',2'-E][1,4]diazepin-7-yl]cyclopropanecarboxamide 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 1908
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6, MS7, MS8
Ionization Methods NSI
Analyzers FT
Last Modification 4/2/2020 9:16:01 AM
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Identificators

InChI InChI=1S/C20H24N4O4S/c25-16(9-13-2-1-7-29-13)23-6-5-14-17(23)20(28)24-10-12(8-15(24)19(27)22-14)21-18(26)11-3-4-11/h1-2,7,11-12,14-15,17H,3-6,8-10H2,(H,21,26)(H,22,27)
InChI Key ORXDXFRYJHQONL-UHFFFAOYSA-N
Canonical SMILES C1CC1C(=O)NC2CC3C(=O)NC4CCN(C4C(=O)N3C2)C(=O)CC5=CC=CS5
CAS
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Other Names Cyclopropanecarboxamide, N-[dodecahydro-5,10-dioxo-1-[2-(2-thienyl)acetyl]dipyrrolo[1,2-a:3',2'-E][1,4]diazepin-7-yl]-;
NAT3-188058

In Other Databases

ChemSpider 2923106
PubChem 3690902