| SpectraBase Spectrum ID |
4FzVvrwGh3L |
| Name |
2-Amino-4-{4-methoxy-3-[(4-methylphenoxy)methyl]phenyl}-6,7,8,9-tetrahydro-5H-cyclohepta[B]pyridine-3-carbonitrile |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
413.210327119 u |
| Formula |
C26H27N3O2 |
| InChI |
InChI=1S/C26H27N3O2/c1-17-8-11-20(12-9-17)31-16-19-14-18(10-13-24(19)30-2)25-21-6-4-3-5-7-23(21)29-26(28)22(25)15-27/h8-14H,3-7,16H2,1-2H3,(H2,28,29) |
| InChIKey |
AJLXIJPVAJFTQV-UHFFFAOYSA-N |
| Molecular Weight |
413.521 g/mol |
| SMILES |
NC=1C(=C(C=2C=C(COC=3C=CC(=CC3)C)C(=CC2)OC)C=2CCCCCC2N1)C#N |
![2-amino-4-{4-methoxy-3-[(4-methylphenoxy)methyl]phenyl}-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile](/api/spectrum/4FzVvrwGh3L/structure.png?h=300&w=458 "2-amino-4-{4-methoxy-3-[(4-methylphenoxy)methyl]phenyl}-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile")
