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

enlarge

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

ID: Reference9989

Other Names: Urea, N-cyclohexyl-N'-[(1R,5S)-1,3,4,5,6,8-hexahydro-8-oxo-3-(2-phenoxyacetyl)-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-9-yl]-;
NAT11-281551

Formula: C26H32N4O4

Spectral Data

1-Cyclohexyl-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.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 2
No. of Spectra 3609
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 10/15/2020 10:17:59 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C26H32N4O4/c31-24(17-34-21-9-5-2-6-10-21)29-14-18-13-19(16-29)23-12-11-22(25(32)30(23)15-18)28-26(33)27-20-7-3-1-4-8-20/h2,5-6,9-12,18-20H,1,3-4,7-8,13-17H2,(H2,27,28,33)/t18-,19+/m0/s1
InChI Key SQJUWBXZDRRHHR-RBUKOAKNSA-N
Canonical SMILES C1CCC(CC1)NC(=O)NC2=CC=C3C4CC(CN(C4)C(=O)COC5=CC=CC=C5)CN3C2=O
CAS
Splash
Other Names Urea, N-cyclohexyl-N'-[(1R,5S)-1,3,4,5,6,8-hexahydro-8-oxo-3-(2-phenoxyacetyl)-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-9-yl]-;
NAT11-281551

In Other Databases

ChemSpider 5484606
PubChem 7143045