| SpectraBase Spectrum ID |
BPrF9fmGt5x |
| Name |
(3R)-5-(2-Fluorophenyl)-1,3-dihydro-3-(1H-indol-3-ylmethyl)-1-methyl-2H-1,4-benzodiazepin-2-one, N-methyl |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
411.174690502 u |
| Formula |
C26H22FN3O |
| InChI |
InChI=1S/C26H22FN3O/c1-29-16-17(18-9-4-7-13-23(18)29)15-22-26(31)30(2)24-14-8-5-11-20(24)25(28-22)19-10-3-6-12-21(19)27/h3-14,16,22H,15H2,1-2H3/t22-/m1/s1 |
| InChIKey |
WJEIRFDFZCCLMQ-JOCHJYFZSA-N |
| Molecular Weight |
411.480 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)C=CC=C2 |
