SpectraBase Spectrum ID |
EElSQ95POpu |
Name |
1-Phenyl-3-methyl-5-(methoxycarbonyl)-6-[(4-methylphenylamino)(4-methylphenylimino)methyl]-7-methoxy)pyrazolo[3,4-D][1,3]diazepine |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
534.237938847 u |
Formula |
C31H30N6O3 |
InChI |
InChI=1S/C31H30N6O3/c1-20-11-15-23(16-12-20)32-30(33-24-17-13-21(2)14-18-24)36-27(29(38)39-4)19-26-22(3)35-37(25-9-7-6-8-10-25)28(26)34-31(36)40-5/h6-19H,1-5H3,(H,32,33) |
InChIKey |
GCSRMSJVAIFNEL-UHFFFAOYSA-N |
Molecular Weight |
534.620 g/mol |
SMILES |
C1=2N=C(N(\C(=N\C=3C=CC(=CC3)C)NC3=CC=C(C=C3)C)C(=CC2C(C)=NN1C1=CC=CC=C1)C(=O)OC)OC |