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

enlarge

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

ID: Reference9348

Other Names: Urea, N-(3-cyanophenyl)-N'-[(1R,5S)-1,3,4,5,6,8-hexahydro-8-oxo-3-(tetrahydro-2H-pyran-4-yl)-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-9-yl]-;
NAT11-303869

Formula: C24H27N5O3

Spectral Data

1-(3-Cyanophenyl)-3-[(1R,9S)-6-oxo-11-(tetrahydro-2H-pyran-4-yl)-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.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 2
No. of Spectra 3566
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6, MS7
Ionization Methods NSI
Analyzers FT
Last Modification 2/5/2020 2:15:03 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C24H27N5O3/c25-12-16-2-1-3-19(11-16)26-24(31)27-21-4-5-22-18-10-17(14-29(22)23(21)30)13-28(15-18)20-6-8-32-9-7-20/h1-5,11,17-18,20H,6-10,13-15H2,(H2,26,27,31)/t17-,18+/m0/s1
InChI Key DDTSMVGLUPWYDX-ZWKOTPCHSA-N
Canonical SMILES C1COCCC1N2CC3CC(C2)C4=CC=C(C(=O)N4C3)NC(=O)NC5=CC=CC(=C5)C#N
CAS
Splash
Other Names Urea, N-(3-cyanophenyl)-N'-[(1R,5S)-1,3,4,5,6,8-hexahydro-8-oxo-3-(tetrahydro-2H-pyran-4-yl)-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-9-yl]-;
NAT11-303869

In Other Databases

ChemSpider 21380248
PubChem 26742312