4-Cyano-N-{(1R,9S)-11-[(1-methyl-1H-indol-3-yl)methyl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl}benzamide

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Systematic / IUPAC Name: 4-Cyano-N-[(1R,9S)-11-[(1-methylindol-3-yl)methyl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]benzamide

ID: Reference10001

Other Names: Benzamide, 4-cyano-N-[(1R,5S)-1,3,4,5,6,8-hexahydro-3-[(1-methyl-1H-indol-3-yl)methyl]-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-9-yl]-;
NAT11-276276

Formula: C29H27N5O2

Spectral Data

4-Cyano-N-{(1R,9S)-11-[(1-methyl-1H-indol-3-yl)methyl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl}benzamide 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 2055
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 10/23/2020 8:28:51 AM
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Identificators

InChI InChI=1S/C29H27N5O2/c1-32-16-23(24-4-2-3-5-27(24)32)18-33-14-20-12-22(17-33)26-11-10-25(29(36)34(26)15-20)31-28(35)21-8-6-19(13-30)7-9-21/h2-11,16,20,22H,12,14-15,17-18H2,1H3,(H,31,35)/t20-,22+/m0/s1
InChI Key SKXGYZKZLNHMFT-RBBKRZOGSA-N
Canonical SMILES CN1C=C(C2=CC=CC=C21)CN3CC4CC(C3)C5=CC=C(C(=O)N5C4)NC(=O)C6=CC=C(C=C6)C#N
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Other Names Benzamide, 4-cyano-N-[(1R,5S)-1,3,4,5,6,8-hexahydro-3-[(1-methyl-1H-indol-3-yl)methyl]-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-9-yl]-;
NAT11-276276

In Other Databases

ChemSpider 5409877
PubChem 7051672