| SpectraBase Spectrum ID |
76ZJqRAA1v |
| Name |
(3R)-5-(2-Fluorophenyl)-1,3-dihydro-3-(1H-indol-3-ylmethyl)-1-methyl-2H-1,4-benzodiazepin-2-one, N-acetyl |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
439.169605121 u |
| Formula |
C27H22FN3O2 |
| InChI |
InChI=1S/C27H22FN3O2/c1-17(32)31-16-18(19-9-4-8-14-25(19)31)15-23-27(33)30(2)24-13-7-5-11-21(24)26(29-23)20-10-3-6-12-22(20)28/h3-14,16,23H,15H2,1-2H3/t23-/m1/s1 |
| InChIKey |
SSNKZQUBMGQALA-HSZRJFAPSA-N |
| Molecular Weight |
439.490 g/mol |
| SMILES |
C1(F)=C(C=CC=C1)C1=N[C@@]([H])(C(=O)N(C=2C1=CC=CC2)C)CC=1C2=C(N(C1)C(=O)C)C=CC=C2 |
