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

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

ID: Reference10152

Other Names: 1H-Azepino[5,4,3-cd]indole-4-carboxamide, N-cyclopentyl-1-[(3,5-dimethyl-4-isoxazolyl)methyl]-3,4,5,6-tetrahydro-6-(2-methylpropyl)-, (4S,6S)-;
NAT33-501269

Formula: C27H36N4O2

Spectral Data

(4S,6S)-N-Cyclopentyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-isobutyl-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 2
No. of Spectra 1923
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 12/18/2020 11:14:11 AM
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Identificators

InChI InChI=1S/C27H36N4O2/c1-16(2)12-23-21-10-7-11-25-26(21)19(14-31(25)15-22-17(3)30-33-18(22)4)13-24(29-23)27(32)28-20-8-5-6-9-20/h7,10-11,14,16,20,23-24,29H,5-6,8-9,12-13,15H2,1-4H3,(H,28,32)/t23-,24-/m0/s1
InChI Key OHALZNGZWKSEMM-ZEQRLZLVSA-N
Canonical SMILES CC1=C(C(=NO1)C)CN2C=C3CC(NC(C4=C3C2=CC=C4)CC(C)C)C(=O)NC5CCCC5
CAS
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Other Names 1H-Azepino[5,4,3-cd]indole-4-carboxamide, N-cyclopentyl-1-[(3,5-dimethyl-4-isoxazolyl)methyl]-3,4,5,6-tetrahydro-6-(2-methylpropyl)-, (4S,6S)-;
NAT33-501269

In Other Databases

PubChem 51138105
ChemSpider 29851039