(4S,6S)-1-[(3,5-Dimethyl-1,2-oxazol-4-yl)methyl]-6-isobutyl-N-propyl-3,4,5,6-tetrahydro-1H-azepino[5,4,3-cd]indole-4-carboxamide

enlarge

Systematic / IUPAC Name: (9S,11S)-3-[(3,5-Dimethyl-1,2-oxazol-4-yl)methyl]-9-(2-methylpropyl)-N-propyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-11-carboxamide

ID: Reference10726

Other Names: NAT33-501285

Formula: C25H34N4O2

Spectral Data

(4S,6S)-1-[(3,5-Dimethyl-1,2-oxazol-4-yl)methyl]-6-isobutyl-N-propyl-3,4,5,6-tetrahydro-1H-azepino[5,4,3-cd]indole-4-carboxamide 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 1
No. of Spectra 2755
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 8/6/2021 6:28:36 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C25H34N4O2/c1-6-10-26-25(30)22-12-18-13-29(14-20-16(4)28-31-17(20)5)23-9-7-8-19(24(18)23)21(27-22)11-15(2)3/h7-9,13,15,21-22,27H,6,10-12,14H2,1-5H3,(H,26,30)/t21-,22-/m0/s1
InChI Key CBTDKUVETVQAEI-VXKWHMMOSA-N
Canonical SMILES CCCNC(=O)C1CC2=CN(C3=CC=CC(=C23)C(N1)CC(C)C)CC4=C(ON=C4C)C
CAS
Splash
Other Names NAT33-501285

In Other Databases

ChemSpider 29851047
PubChem 51138113