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}isonicotinamide

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Systematic / IUPAC Name: 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]pyridine-4-carboxamide

ID: Reference9725

Other Names: 4-Pyridinecarboxamide, 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]-;
NAT11-295044

Formula: C27H27N5O2

Spectral Data

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}isonicotinamide 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 3146
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 5/29/2020 9:50:41 AM
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Identificators

InChI InChI=1S/C27H27N5O2/c1-30-15-21(22-4-2-3-5-25(22)30)17-31-13-18-12-20(16-31)24-7-6-23(27(34)32(24)14-18)29-26(33)19-8-10-28-11-9-19/h2-11,15,18,20H,12-14,16-17H2,1H3,(H,29,33)/t18-,20+/m0/s1
InChI Key UHDRPALPPOFTQE-AZUAARDMSA-N
Canonical SMILES CN1C=C(C2=CC=CC=C21)CN3CC4CC(C3)C5=CC=C(C(=O)N5C4)NC(=O)C6=CC=NC=C6
CAS
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Other Names 4-Pyridinecarboxamide, 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]-;
NAT11-295044

In Other Databases

PubChem 7051869
ChemSpider 5410012