| SpectraBase Spectrum ID |
JsnAaE6x60d |
| Name |
7-Chloranyl-N-[5-chloranyl-2-[4-(phenylmethyl)piperazin-1-yl]phenyl]quinolin-4-amine |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
462.137802189 u |
| Formula |
C26H24Cl2N4 |
| InChI |
InChI=1S/C26H24Cl2N4/c27-20-6-8-22-23(10-11-29-24(22)16-20)30-25-17-21(28)7-9-26(25)32-14-12-31(13-15-32)18-19-4-2-1-3-5-19/h1-11,16-17H,12-15,18H2,(H,29,30) |
| InChIKey |
TTWHRMUMGSQNTM-UHFFFAOYSA-N |
| Molecular Weight |
463.412 g/mol |
| SMILES |
C1(NC=2C3=C(C=C(C=C3)Cl)N=CC2)=C(N2CCN(CC2)CC=2C=CC=CC2)C=CC(=C1)Cl |