4-Cyano-N-{[(1S,4S,6S)-6-isopropyl-3-methyl-4-{2-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl}-2-cyclohexen-1-yl]methyl}benzamide

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Systematic / IUPAC Name: 4-Cyano-N-[[(1S,4S,6S)-3-methyl-4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]benzamide

ID: Reference10436

Other Names: Benzamide, 4-cyano-N-[[(1S,4S,6S)-3-methyl-6-(1-methylethyl)-4-[2-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl]-2-cyclohexen-1-yl]methyl]-;
NAT28-406843

Formula: C30H37N5O2

Spectral Data

4-Cyano-N-{[(1S,4S,6S)-6-isopropyl-3-methyl-4-{2-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl}-2-cyclohexen-1-yl]methyl}benzamide 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 3458
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 5/6/2021 2:32:49 PM
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Identificators

InChI InChI=1S/C30H37N5O2/c1-21(2)27-17-25(18-29(36)35-14-12-34(13-15-35)28-6-4-5-11-32-28)22(3)16-26(27)20-33-30(37)24-9-7-23(19-31)8-10-24/h4-11,16,21,25-27H,12-15,17-18,20H2,1-3H3,(H,33,37)/t25-,26-,27-/m0/s1
InChI Key KWHYLSHTQBSBAP-QKDODKLFSA-N
Canonical SMILES CC1=CC(C(CC1CC(=O)N2CCN(CC2)C3=CC=CC=N3)C(C)C)CNC(=O)C4=CC=C(C=C4)C#N
CAS
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Other Names Benzamide, 4-cyano-N-[[(1S,4S,6S)-3-methyl-6-(1-methylethyl)-4-[2-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl]-2-cyclohexen-1-yl]methyl]-;
NAT28-406843

In Other Databases

PubChem 38028999
ChemSpider 22937238