3-{(1R,9S)-6-Oxo-11-[4-(2-pyridinyl)benzyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl}benzonitrile

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Systematic / IUPAC Name: 3-[(1R,9S)-6-Oxo-11-[(4-pyridin-2-ylphenyl)methyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]benzonitrile

ID: Reference10052

Other Names: Benzonitrile, 3-[(1R,5S)-1,3,4,5,6,8-hexahydro-8-oxo-3-[[4-(2-pyridinyl)phenyl]methyl]-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-9-yl]-;
NAT11-287206

Formula: C30H26N4O

Spectral Data

3-{(1R,9S)-6-Oxo-11-[4-(2-pyridinyl)benzyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl}benzonitrile 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 429
Tandem Spectra MS1, MS2, MS3
Ionization Methods NSI
Analyzers FT
Last Modification 11/13/2020 11:17:17 AM
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Identificators

InChI InChI=1S/C30H26N4O/c31-16-22-4-3-5-25(14-22)27-11-12-29-26-15-23(19-34(29)30(27)35)18-33(20-26)17-21-7-9-24(10-8-21)28-6-1-2-13-32-28/h1-14,23,26H,15,17-20H2/t23-,26+/m0/s1
InChI Key DQVPBDUFPKDICT-JYFHCDHNSA-N
Canonical SMILES C1C2CN(CC1C3=CC=C(C(=O)N3C2)C4=CC=CC(=C4)C#N)CC5=CC=C(C=C5)C6=CC=CC=N6
CAS
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Other Names Benzonitrile, 3-[(1R,5S)-1,3,4,5,6,8-hexahydro-8-oxo-3-[[4-(2-pyridinyl)phenyl]methyl]-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-9-yl]-;
NAT11-287206

In Other Databases

PubChem 40533517
ChemSpider 21380162