(4aR)-9-(5-Chloro-2-methoxyphenyl)-3-(2-phenoxyacetyl)-2,4,4a,6-tetrahydro-1H-pyrazino[2,1-c][1,4]benzodiazepine-5,11-dione

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Systematic / IUPAC Name:

ID: Reference13365

Other Names: NAT9-273047

Formula: C27H24ClN3O5

Spectral Data

(4aR)-9-(5-Chloro-2-methoxyphenyl)-3-(2-phenoxyacetyl)-2,4,4a,6-tetrahydro-1H-pyrazino[2,1-c][1,4]benzodiazepine-5,11-dione 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 2794
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 3/14/2025 9:33:26 AM
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Identificators

InChI InChI=1S/C27H24ClN3O5/c1-35-24-10-8-18(28)14-20(24)17-7-9-22-21(13-17)27(34)31-12-11-30(15-23(31)26(33)29-22)25(32)16-36-19-5-3-2-4-6-19/h2-10,13-14,23H,11-12,15-16H2,1H3,(H,29,33)/t23-/m1/s1
InChI Key OPNVDGPAXMRXQN-HSZRJFAPSA-N
Canonical SMILES COC1=C(C=C(C=C1)Cl)C2=CC3=C(C=C2)NC(=O)C4CN(CCN4C3=O)C(=O)COC5=CC=CC=C5
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Other Names NAT9-273047

In Other Databases

PubChem 11884219