[(1S,4S,6S)-6-Isopropyl-3-methyl-4-{2-oxo-2-[4-(2-pyrazinyl)-1-piperazinyl]ethyl}-2-cyclohexen-1-yl]acetonitrile

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Systematic / IUPAC Name: 2-[(1S,4S,6S)-3-Methyl-4-[2-oxo-2-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]-6-propan-2-ylcyclohex-2-en-1-yl]acetonitrile

ID: Reference9974

Other Names: 2-Cyclohexene-1-acetonitrile, 3-methyl-6-(1-methylethyl)-4-[2-oxo-2-[4-(2-pyrazinyl)-1-piperazinyl]ethyl]-, (1S,4S,6S)-;
NAT28-409859

Formula: C22H31N5O

Spectral Data

[(1S,4S,6S)-6-Isopropyl-3-methyl-4-{2-oxo-2-[4-(2-pyrazinyl)-1-piperazinyl]ethyl}-2-cyclohexen-1-yl]acetonitrile 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 869
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 10/8/2020 9:39:58 AM
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Identificators

InChI InChI=1S/C22H31N5O/c1-16(2)20-13-19(17(3)12-18(20)4-5-23)14-22(28)27-10-8-26(9-11-27)21-15-24-6-7-25-21/h6-7,12,15-16,18-20H,4,8-11,13-14H2,1-3H3/t18-,19+,20+/m1/s1
InChI Key DMNAQKTVHWQKIX-AABGKKOBSA-N
Canonical SMILES CC1=CC(C(CC1CC(=O)N2CCN(CC2)C3=NC=CN=C3)C(C)C)CC#N
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Other Names 2-Cyclohexene-1-acetonitrile, 3-methyl-6-(1-methylethyl)-4-[2-oxo-2-[4-(2-pyrazinyl)-1-piperazinyl]ethyl]-, (1S,4S,6S)-;
NAT28-409859

In Other Databases

PubChem 38029875
ChemSpider 22937358