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

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

ID: Reference10725

Other Names: NAT33-501371

Formula: C25H32N4O2

Spectral Data

(4S,6S)-N-(Cyclopropylmethyl)-6-isobutyl-1-[(5-methyl-1,2-oxazol-3-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.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 1
No. of Spectra 840
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 8/6/2021 6:27:35 AM
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Identificators

InChI InChI=1S/C25H32N4O2/c1-15(2)9-21-20-5-4-6-23-24(20)18(13-29(23)14-19-10-16(3)31-28-19)11-22(27-21)25(30)26-12-17-7-8-17/h4-6,10,13,15,17,21-22,27H,7-9,11-12,14H2,1-3H3,(H,26,30)/t21-,22-/m0/s1
InChI Key IOQQKGVMSLBUAO-VXKWHMMOSA-N
Canonical SMILES CC1=CC(=NO1)CN2C=C3CC(NC(C4=C3C2=CC=C4)CC(C)C)C(=O)NCC5CC5
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Other Names NAT33-501371

In Other Databases

PubChem 51138139
ChemSpider 29851073