1-{[(1S,4S,6S)-6-Isopropyl-3-methyl-4-{[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl}-2-cyclohexen-1-yl]methyl}-4-methylpiperazine

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Systematic / IUPAC Name: 2-[[(1S,4S,5S)-2-Methyl-4-[(4-methylpiperazin-1-yl)methyl]-5-propan-2-ylcyclohex-2-en-1-yl]methyl]-5-(4-nitrophenyl)-1,3,4-oxadiazole

ID: Reference9555

Other Names: Piperazine, 1-methyl-4-[[(1S,4S,6S)-3-methyl-6-(1-methylethyl)-4-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-cyclohexen-1-yl]methyl]-;
NAT28-412943

Formula: C25H35N5O3

Spectral Data

1-{[(1S,4S,6S)-6-Isopropyl-3-methyl-4-{[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl}-2-cyclohexen-1-yl]methyl}-4-methylpiperazine 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 1816
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 4/2/2020 9:29:24 AM
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Identificators

InChI InChI=1S/C25H35N5O3/c1-17(2)23-14-20(18(3)13-21(23)16-29-11-9-28(4)10-12-29)15-24-26-27-25(33-24)19-5-7-22(8-6-19)30(31)32/h5-8,13,17,20-21,23H,9-12,14-16H2,1-4H3/t20-,21-,23-/m0/s1
InChI Key HILQRGVCHRZHLZ-FUDKSRODSA-N
Canonical SMILES CC1=CC(C(CC1CC2=NN=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])C(C)C)CN4CCN(CC4)C
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Other Names Piperazine, 1-methyl-4-[[(1S,4S,6S)-3-methyl-6-(1-methylethyl)-4-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-cyclohexen-1-yl]methyl]-;
NAT28-412943

In Other Databases

ChemSpider 29849399
PubChem 45783988