(4S,6S)-6-Isobutyl-N-isopropyl-3,4,5,6-tetrahydro-1H-azepino[5,4,3-cd]indole-4-carboxamide

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

ID: Reference9592

Other Names: 1H-Azepino[5,4,3-cd]indole-4-carboxamide, 3,4,5,6-tetrahydro-N-(1-methylethyl)-6-(2-methylpropyl)-, (4S,6S)-;
NAT33-474980

Formula: C19H27N3O

Spectral Data

(4S,6S)-6-Isobutyl-N-isopropyl-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.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 1
No. of Spectra 2589
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 4/15/2020 8:41:08 AM
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Identificators

InChI InChI=1S/C19H27N3O/c1-11(2)8-16-14-6-5-7-15-18(14)13(10-20-15)9-17(22-16)19(23)21-12(3)4/h5-7,10-12,16-17,20,22H,8-9H2,1-4H3,(H,21,23)/t16-,17-/m0/s1
InChI Key BLTCUHUIPFCDJA-IRXDYDNUSA-N
Canonical SMILES CC(C)CC1C2=C3C(=CNC3=CC=C2)CC(N1)C(=O)NC(C)C
CAS
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Other Names 1H-Azepino[5,4,3-cd]indole-4-carboxamide, 3,4,5,6-tetrahydro-N-(1-methylethyl)-6-(2-methylpropyl)-, (4S,6S)-;
NAT33-474980

In Other Databases

ChemSpider 29850909
ChEMBL CHEMBL3437249
PubChem 51137960