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

enlarge

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

ID: Reference8801

Other Names: 1H-Azepino[5,4,3-cd]indole-4-carboxamide, N-(cyclopropylmethyl)-3,4,5,6-tetrahydro-1-[(1-methyl-1H-imidazol-2-yl)methyl]-6-(2-methylpropyl)-, (4S,6S)-;
NAT33-501191

Formula: C25H33N5O

Spectral Data

(4S,6S)-N-(Cyclopropylmethyl)-6-isobutyl-1-[(1-methyl-1H-imidazol-2-yl)methyl]-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 FAIMS
No. of Spectral Trees 1
No. of Spectra 304
Tandem Spectra MS1, MS2, MS3
Ionization Methods NSI
Analyzers FT
Last Modification 7/29/2019 8:41:26 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C25H33N5O/c1-16(2)11-20-19-5-4-6-22-24(19)18(14-30(22)15-23-26-9-10-29(23)3)12-21(28-20)25(31)27-13-17-7-8-17/h4-6,9-10,14,16-17,20-21,28H,7-8,11-13,15H2,1-3H3,(H,27,31)/t20-,21-/m0/s1
InChI Key IXPJJNOSJIREOK-SFTDATJTSA-N
Canonical SMILES CC(C)CC1C2=C3C(=CN(C3=CC=C2)CC4=NC=CN4C)CC(N1)C(=O)NCC5CC5
CAS
Splash
Other Names 1H-Azepino[5,4,3-cd]indole-4-carboxamide, N-(cyclopropylmethyl)-3,4,5,6-tetrahydro-1-[(1-methyl-1H-imidazol-2-yl)methyl]-6-(2-methylpropyl)-, (4S,6S)-;
NAT33-501191

In Other Databases

PubChem 51138087
ChemSpider 29851022