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

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

ID: Reference12320

Other Names: NAT11-302704

Formula: C27H25N5O4

Spectral Data

1-(3-Cyanophenyl)-3-[(1R,9S)-6-oxo-11-(phenoxyacetyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-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 1065
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 3/2/2023 7:17:01 PM
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Identificators

InChI InChI=1S/C27H25N5O4/c28-13-18-5-4-6-21(12-18)29-27(35)30-23-9-10-24-20-11-19(15-32(24)26(23)34)14-31(16-20)25(33)17-36-22-7-2-1-3-8-22/h1-10,12,19-20H,11,14-17H2,(H2,29,30,35)/t19-,20+/m0/s1
InChI Key MKFMJJUGFVBVHU-VQTJNVASSA-N
Canonical SMILES C1C2CN(CC1C3=CC=C(C(=O)N3C2)NC(=O)NC4=CC=CC(=C4)C#N)C(=O)COC5=CC=CC=C5
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Other Names NAT11-302704

In Other Databases

ChemSpider 5495850
PubChem 7156243