1-Allyl-3-[(6aS,8S)-2-(5-chloro-2-methoxyphenyl)-6,12-dioxo-5,6,6a,7,8,9,10,12-octahydropyrido[2,1-c][1,4]benzodiazepin-8-yl]urea

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Systematic / IUPAC Name: 1-[(6aS,8S)-2-(5-Chloro-2-methoxyphenyl)-6,12-dioxo-5,6a,7,8,9,10-hexahydropyrido[2,1-c][1,4]benzodiazepin-8-yl]-3-prop-2-enylurea

ID: Reference12517

Other Names: NAT7-330171

Formula: C24H25ClN4O4

Spectral Data

1-Allyl-3-[(6aS,8S)-2-(5-chloro-2-methoxyphenyl)-6,12-dioxo-5,6,6a,7,8,9,10,12-octahydropyrido[2,1-c][1,4]benzodiazepin-8-yl]urea 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 2592
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 5/15/2023 8:52:49 AM
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Identificators

InChI InChI=1S/C24H25ClN4O4/c1-3-9-26-24(32)27-16-8-10-29-20(13-16)22(30)28-19-6-4-14(11-18(19)23(29)31)17-12-15(25)5-7-21(17)33-2/h3-7,11-12,16,20H,1,8-10,13H2,2H3,(H,28,30)(H2,26,27,32)/t16-,20-/m0/s1
InChI Key AOZOUOCUYGJCHH-JXFKEZNVSA-N
Canonical SMILES COC1=C(C=C(C=C1)Cl)C2=CC3=C(C=C2)NC(=O)C4CC(CCN4C3=O)NC(=O)NCC=C
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Other Names NAT7-330171

In Other Databases

ChemSpider 10117431
PubChem 11943112