N-[(6aS,8S)-2-(2,3-Dimethylphenyl)-6,12-dioxo-5,6,6a,7,8,9,10,12-octahydropyrido[2,1-c][1,4]benzodiazepin-8-yl]nicotinamide

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Systematic / IUPAC Name: N-[(6aS,8S)-2-(2,3-Dimethylphenyl)-6,12-dioxo-5,6a,7,8,9,10-hexahydropyrido[2,1-c][1,4]benzodiazepin-8-yl]pyridine-3-carboxamide

ID: Reference9313

Other Names: 3-Pyridinecarboxamide, N-[(6aS,8S)-2-(2,3-dimethylphenyl)-5,6,6a,7,8,9,10,12-octahydro-6,12-dioxopyrido[2,1-c][1,4]benzodiazepin-8-yl]-;
NAT7-330104

Formula: C27H26N4O3

Spectral Data

N-[(6aS,8S)-2-(2,3-Dimethylphenyl)-6,12-dioxo-5,6,6a,7,8,9,10,12-octahydropyrido[2,1-c][1,4]benzodiazepin-8-yl]nicotinamide 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 4531
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 1/23/2020 2:14:19 PM
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Identificators

InChI InChI=1S/C27H26N4O3/c1-16-5-3-7-21(17(16)2)18-8-9-23-22(13-18)27(34)31-12-10-20(14-24(31)26(33)30-23)29-25(32)19-6-4-11-28-15-19/h3-9,11,13,15,20,24H,10,12,14H2,1-2H3,(H,29,32)(H,30,33)/t20-,24-/m0/s1
InChI Key ZRHVZESIBKIHCH-RDPSFJRHSA-N
Canonical SMILES CC1=C(C(=CC=C1)C2=CC3=C(C=C2)NC(=O)C4CC(CCN4C3=O)NC(=O)C5=CN=CC=C5)C
CAS
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Other Names 3-Pyridinecarboxamide, N-[(6aS,8S)-2-(2,3-dimethylphenyl)-5,6,6a,7,8,9,10,12-octahydro-6,12-dioxopyrido[2,1-c][1,4]benzodiazepin-8-yl]-;
NAT7-330104

In Other Databases

ChemSpider 21388681
PubChem 25390944