[(1S,4S,6S)-6-Isopropyl-3-methyl-4-{2-oxo-2-[4-(2-pyrimidinyl)-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-pyrimidin-2-ylpiperazin-1-yl)ethyl]-6-propan-2-ylcyclohex-2-en-1-yl]acetonitrile

ID: Reference9973

Other Names: 2-Cyclohexene-1-acetonitrile, 3-methyl-6-(1-methylethyl)-4-[2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]-, (1S,4S,6S)-;
NAT28-409930

Formula: C22H31N5O

Spectral Data

[(1S,4S,6S)-6-Isopropyl-3-methyl-4-{2-oxo-2-[4-(2-pyrimidinyl)-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 1
No. of Spectra 685
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 10/8/2020 9:39:21 AM
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Identificators

InChI InChI=1S/C22H31N5O/c1-16(2)20-14-19(17(3)13-18(20)5-6-23)15-21(28)26-9-11-27(12-10-26)22-24-7-4-8-25-22/h4,7-8,13,16,18-20H,5,9-12,14-15H2,1-3H3/t18-,19+,20+/m1/s1
InChI Key NORRWAIKVCXRDR-AABGKKOBSA-N
Canonical SMILES CC1=CC(C(CC1CC(=O)N2CCN(CC2)C3=NC=CC=N3)C(C)C)CC#N
CAS
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Other Names 2-Cyclohexene-1-acetonitrile, 3-methyl-6-(1-methylethyl)-4-[2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]-, (1S,4S,6S)-;
NAT28-409930

In Other Databases

ChemSpider 22937379
PubChem 38030027