| SpectraBase Spectrum ID |
BefQhg50wCw |
| Name |
2,3-Dicyano-5-phenyl-7-[2-(2,3,6,7-tetrahydro-1H,5H-benzo[ij]quinolizin-9-yl)ethenyl]-6H-1,4-diazepine |
| Alternate Name(s) |
5-phenyl-7-[(E)-2-(2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolin-9-yl)ethenyl]-6H-1,4-diazepine-2,3-dicarbonitrile |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H23N5 |
| InChI |
InChI=1S/C27H23N5/c28-17-25-26(18-29)31-24(20-6-2-1-3-7-20)16-23(30-25)11-10-19-14-21-8-4-12-32-13-5-9-22(15-19)27(21)32/h1-3,6-7,10-11,14-15H,4-5,8-9,12-13,16H2/b11-10+ |
| InChIKey |
VLNDVBQLCNUDDH-ZHACJKMWSA-N |
| Molecular Weight |
417.516 g/mol |
| SMILES |
C=1(N=C(CC(=NC1C#N)c1ccccc1)\C=C\c1cc2CCCN3CCCc(c23)c1)C#N |
| SPLASH |
splash10-00kr-0900800000-f5629852b73ed6a062ef |
| Source of Spectrum |
HC-78-321-18 |
| Wiley ID |
1612694 |
![2,3-Dicyano-5-phenyl-7-[2-(2,3,6,7-tetrahydro-1H,5H-benzo[ij]quinolizin-9-yl)ethenyl]-6H-1,4-diazepine](/api/spectrum/BefQhg50wCw/structure.png?h=300&w=458 "2,3-Dicyano-5-phenyl-7-[2-(2,3,6,7-tetrahydro-1H,5H-benzo[ij]quinolizin-9-yl)ethenyl]-6H-1,4-diazepine")
