1-[(1R,9S)-11-Benzoyl-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-3-(3-cyanophenyl)urea

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Systematic / IUPAC Name: 1-[(1R,9S)-11-Benzoyl-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-3-(3-cyanophenyl)urea

ID: Reference9992

Other Names: Urea, N-[(1R,5S)-3-benzoyl-1,3,4,5,6,8-hexahydro-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-9-yl]-N'-(3-cyanophenyl)-;
NAT11-302654

Formula: C26H23N5O3

Spectral Data

1-[(1R,9S)-11-Benzoyl-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-3-(3-cyanophenyl)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 2
No. of Spectra 3070
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6, MS7, MS8
Ionization Methods NSI
Analyzers FT
Last Modification 6/29/2023 8:06:27 AM
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Identificators

InChI InChI=1S/C26H23N5O3/c27-13-17-5-4-8-21(12-17)28-26(34)29-22-9-10-23-20-11-18(15-31(23)25(22)33)14-30(16-20)24(32)19-6-2-1-3-7-19/h1-10,12,18,20H,11,14-16H2,(H2,28,29,34)/t18-,20+/m0/s1
InChI Key OJDKDKZSNDPXMI-AZUAARDMSA-N
Canonical SMILES C1C2CN(CC1C3=CC=C(C(=O)N3C2)NC(=O)NC4=CC=CC(=C4)C#N)C(=O)C5=CC=CC=C5
CAS
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Other Names Urea, N-[(1R,5S)-3-benzoyl-1,3,4,5,6,8-hexahydro-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-9-yl]-N'-(3-cyanophenyl)-;
NAT11-302654

In Other Databases

PubChem 7156241
ChemSpider 5495849