1-[4-(4-{5-[(2S)-1-(3-Pyridinylmethyl)-2-pyrrolidinyl]-1,2,4-oxadiazol-3-yl}-2-pyridinyl)-1-piperazinyl]ethanone

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Systematic / IUPAC Name: 1-[4-[4-[5-[(2S)-1-(Pyridin-3-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-yl]piperazin-1-yl]ethanone

ID: Reference10025

Other Names: Ethanone, 1-[4-[4-[5-[(2S)-1-(3-pyridinylmethyl)-2-pyrrolidinyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-1-piperazinyl]-;
NAT18-428438

Formula: C23H27N7O2

Spectral Data

1-[4-(4-{5-[(2S)-1-(3-Pyridinylmethyl)-2-pyrrolidinyl]-1,2,4-oxadiazol-3-yl}-2-pyridinyl)-1-piperazinyl]ethanone 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 400
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 10/30/2020 12:05:25 PM
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Identificators

InChI InChI=1S/C23H27N7O2/c1-17(31)28-10-12-29(13-11-28)21-14-19(6-8-25-21)22-26-23(32-27-22)20-5-3-9-30(20)16-18-4-2-7-24-15-18/h2,4,6-8,14-15,20H,3,5,9-13,16H2,1H3/t20-/m0/s1
InChI Key MLCCTMMGQAVVRH-FQEVSTJZSA-N
Canonical SMILES CC(=O)N1CCN(CC1)C2=NC=CC(=C2)C3=NOC(=N3)C4CCCN4CC5=CN=CC=C5
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Other Names Ethanone, 1-[4-[4-[5-[(2S)-1-(3-pyridinylmethyl)-2-pyrrolidinyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-1-piperazinyl]-;
NAT18-428438

In Other Databases

ChemSpider 29857664
PubChem 51136824