| SpectraBase Spectrum ID |
KbJHZaFNGp9 |
| Name |
N-(4-Cyano-1-oxo-2-phenyl-5-(pyrrolidin-1-yl)-1,2,4a,5,6,7,8,9-octahydropyrimido[1,6-a]azepin-3-yl)formimidic acid ethyl ester |
| Alternate Name(s) |
(1E)-N-[4-cyano-1-oxo-2-phenyl-5-(1-pyrrolidinyl)-4a,5,6,7,8,9-hexahydropyrimido[1,6-a]azepin-3-yl]methanimidic acid ethyl ester
ethyl (1E)-N-(4-cyano-1-oxo-2-phenyl-5-pyrrolidin-1-yl-4a,5,6,7,8,9-hexahydropyrimido[1,6-a]azepin-3-yl)methanimidate
ethyl (1E)-N-(4-cyano-1-oxidanylidene-2-phenyl-5-pyrrolidin-1-yl-4a,5,6,7,8,9-hexahydropyrimido[1,6-a]azepin-3-yl)methanimidate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C23H29N5O2 |
| InChI |
InChI=1S/C23H29N5O2/c1-2-30-17-25-22-19(16-24)21-20(26-13-8-9-14-26)12-6-7-15-27(21)23(29)28(22)18-10-4-3-5-11-18/h3-5,10-11,17,20-21H,2,6-9,12-15H2,1H3/b25-17+ |
| InChIKey |
MAYPSYVZDASXIU-KOEQRZSOSA-N |
| Molecular Weight |
407.518 g/mol |
| SMILES |
C=1(N(C(N2C(C1C#N)C(CCCC2)N1CCCC1)=O)c1ccccc1)\N=C\OCC |
| SPLASH |
splash10-03di-0900200000-0d611a76d8a249a57ed1 |
| Source of Spectrum |
F2-45-3150-6 |
| Wiley ID |
1689217 |
![N-(4-Cyano-1-oxo-2-phenyl-5-(pyrrolidin-1-yl)-1,2,4a,5,6,7,8,9-octahydropyrimido[1,6-a]azepin-3-yl)formimidic acid ethyl ester](/api/spectrum/KbJHZaFNGp9/structure.png?h=300&w=458 "N-(4-Cyano-1-oxo-2-phenyl-5-(pyrrolidin-1-yl)-1,2,4a,5,6,7,8,9-octahydropyrimido[1,6-a]azepin-3-yl)formimidic acid ethyl ester")
