4-(5-{[(1S,4S,5S)-5-Isopropyl-2-methyl-4-{[4-(2-pyrimidinyl)-1-piperazinyl]methyl}-2-cyclohexen-1-yl]methyl}-1,3,4-oxadiazol-2-yl)-N,N-dimethylaniline

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Systematic / IUPAC Name: N,N-Dimethyl-4-[5-[[(1S,4S,5S)-2-methyl-5-propan-2-yl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]cyclohex-2-en-1-yl]methyl]-1,3,4-oxadiazol-2-yl]aniline

ID: Reference11801

Other Names: NAT28-412623

Formula: C30H41N7O

Spectral Data

4-(5-{[(1S,4S,5S)-5-Isopropyl-2-methyl-4-{[4-(2-pyrimidinyl)-1-piperazinyl]methyl}-2-cyclohexen-1-yl]methyl}-1,3,4-oxadiazol-2-yl)-N,N-dimethylaniline 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 1467
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 9/30/2022 7:58:10 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C30H41N7O/c1-21(2)27-18-24(19-28-33-34-29(38-28)23-7-9-26(10-8-23)35(4)5)22(3)17-25(27)20-36-13-15-37(16-14-36)30-31-11-6-12-32-30/h6-12,17,21,24-25,27H,13-16,18-20H2,1-5H3/t24-,25-,27-/m0/s1
InChI Key XJJMPPBULJXHLH-KLJDGLGGSA-N
Canonical SMILES CC1=CC(C(CC1CC2=NN=C(O2)C3=CC=C(C=C3)N(C)C)C(C)C)CN4CCN(CC4)C5=NC=CC=N5
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Other Names NAT28-412623

In Other Databases

PubChem 45783982
ChemSpider 29849393