[(1S,4S,6S)-6-Isopropyl-4-{2-[4-(2-methoxyphenyl)-1-piperazinyl]-2-oxoethyl}-3-methyl-2-cyclohexen-1-yl]acetonitrile
12665
Reference
[(1S,4S,6S)-6-Isopropyl-4-{2-[4-(2-methoxyphenyl)-1-piperazinyl]-2-oxoethyl}-3-methyl-2-cyclohexen-1-yl]acetonitrile Structure
Systematic / IUPAC Name: 2-[(1S,4S,6S)-4-[2-[4-(2-Methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]acetonitrile
ID: Reference12665
Other Names: NAT28-409890
Formula: C25H35N3O2
Spectral Data
[(1S,4S,6S)-6-Isopropyl-4-{2-[4-(2-methoxyphenyl)-1-piperazinyl]-2-oxoethyl}-3-methyl-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.
Available MS Data
| Used Instruments | Orbitrap Fusion Lumos with ETD LBP |
| No. of Spectral Trees | 1 |
| No. of Spectra | 1235 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 7/21/2023 9:00:00 AM |
Identificators
| InChI | InChI=1S/C25H35N3O2/c1-18(2)22-16-21(19(3)15-20(22)9-10-26)17-25(29)28-13-11-27(12-14-28)23-7-5-6-8-24(23)30-4/h5-8,15,18,20-22H,9,11-14,16-17H2,1-4H3/t20-,21+,22+/m1/s1 |
| InChI Key | VQOWQZHSJLVLRA-FSSWDIPSSA-N |
| Canonical SMILES | CC1=CC(C(CC1CC(=O)N2CCN(CC2)C3=CC=CC=C3OC)C(C)C)CC#N |
| CAS | |
| Splash | |
| Other Names | NAT28-409890 |