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

ID: Reference9991

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'-(2-methoxyphenyl)-;
NAT11-281526

Formula: C26H26N4O4

Spectral Data

1-[(1R,9S)-11-Benzoyl-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-3-(2-methoxyphenyl)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 4247
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6, MS7
Ionization Methods NSI
Analyzers FT
Last Modification 10/21/2020 12:09:32 PM
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Identificators

InChI InChI=1S/C26H26N4O4/c1-34-23-10-6-5-9-20(23)27-26(33)28-21-11-12-22-19-13-17(15-30(22)25(21)32)14-29(16-19)24(31)18-7-3-2-4-8-18/h2-12,17,19H,13-16H2,1H3,(H2,27,28,33)/t17-,19+/m0/s1
InChI Key VEFBVXRBIWGTHM-PKOBYXMFSA-N
Canonical SMILES COC1=CC=CC=C1NC(=O)NC2=CC=C3C4CC(CN(C4)C(=O)C5=CC=CC=C5)CN3C2=O
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'-(2-methoxyphenyl)-;
NAT11-281526

In Other Databases

ChemSpider 10058871
PubChem 11884543