| SpectraBase Spectrum ID |
Djd0rYD6WOC |
| Name |
Methyl.4-cyano-2-phenyl-5-(pyrrolidin-1-yl)-1-oxo-1,2,4a,5,6,7,8,9-octahydropyrimido[1,6-a]azepin-3-yl carbamoylformate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C23H27N5O4 |
| InChI |
InChI=1S/C23H27N5O4/c1-32-22(30)21(29)25-20-17(15-24)19-18(26-12-7-8-13-26)11-5-6-14-27(19)23(31)28(20)16-9-3-2-4-10-16/h2-4,9-10,18-19H,5-8,11-14H2,1H3,(H,25,29) |
| InChIKey |
ACSDEGOENRBMKO-UHFFFAOYSA-N |
| Molecular Weight |
437.500 g/mol |
| SMILES |
N(C=1N(C(=O)N2C(C1C#N)C(N1CCCC1)CCCC2)c1ccccc1)C(C(=O)OC)=O |
| SPLASH |
splash10-0002-0900200000-8ee2a2e0bfb5dd11a840 |
| Source of Spectrum |
F2-45-3152-12a |
| Synonyms |
2-[[4-cyano-1-oxo-2-phenyl-5-(1-pyrrolidinyl)-4a,5,6,7,8,9-hexahydropyrimido[1,6-a]azepin-3-yl]amino]-2-oxoacetic acid methyl ester
methyl 2-[(4-cyano-1-oxo-2-phenyl-5-pyrrolidin-1-yl-4a,5,6,7,8,9-hexahydropyrimido[1,6-a]azepin-3-yl)amino]-2-oxoacetate
methyl 2-[(4-cyano-1-oxo-2-phenyl-5-pyrrolidin-1-yl-4a,5,6,7,8,9-hexahydropyrimido[1,6-a]azepin-3-yl)amino]-2-oxo-acetate
methyl 2-[(4-cyano-1-oxidanylidene-2-phenyl-5-pyrrolidin-1-yl-4a,5,6,7,8,9-hexahydropyrimido[1,6-a]azepin-3-yl)amino]-2-oxidanylidene-ethanoate |
| Wiley ID |
1689213 |
![Methyl.4-cyano-2-phenyl-5-(pyrrolidin-1-yl)-1-oxo-1,2,4a,5,6,7,8,9-octahydropyrimido[1,6-a]azepin-3-yl carbamoylformate](/api/spectrum/Djd0rYD6WOC/structure.png?h=300&w=458 "Methyl.4-cyano-2-phenyl-5-(pyrrolidin-1-yl)-1-oxo-1,2,4a,5,6,7,8,9-octahydropyrimido[1,6-a]azepin-3-yl carbamoylformate")
