| SpectraBase Spectrum ID |
60JgDNCgFKR |
| Name |
2,3-Dicyano-5-methyl-7-[6-(2,3,6,7-tetrahydro-1H,5H-benzo[ij]quinolizin-9-yl)-1,3,5-hexatrienyl]-6H-1,4-diazepine |
| Alternate Name(s) |
5-methyl-7-[(1E,3E,5E)-6-(2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolin-9-yl)-1,3,5-hexatrienyl]-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 |
C26H25N5 |
| InChI |
InChI=1S/C26H25N5/c1-19-14-23(30-25(18-28)24(17-27)29-19)11-5-3-2-4-8-20-15-21-9-6-12-31-13-7-10-22(16-20)26(21)31/h2-5,8,11,15-16H,6-7,9-10,12-14H2,1H3/b3-2+,8-4+,11-5+ |
| InChIKey |
GNLOQOZNVRBMBG-QLLWDYSASA-N |
| Molecular Weight |
407.521 g/mol |
| SMILES |
C=1(N=C(CC(=NC1C#N)C)\C=C\C=C\C=C\c1cc2CCCN3CCCc(c23)c1)C#N |
| SPLASH |
splash10-0a4i-0200900000-d2adc91950a598d375f7 |
| Source of Spectrum |
HC-78-322-23 |
| Wiley ID |
1612684 |
![2,3-Dicyano-5-methyl-7-[6-(2,3,6,7-tetrahydro-1H,5H-benzo[ij]quinolizin-9-yl)-1,3,5-hexatrienyl]-6H-1,4-diazepine](/api/spectrum/60JgDNCgFKR/structure.png?h=300&w=458 "2,3-Dicyano-5-methyl-7-[6-(2,3,6,7-tetrahydro-1H,5H-benzo[ij]quinolizin-9-yl)-1,3,5-hexatrienyl]-6H-1,4-diazepine")
