| SpectraBase Spectrum ID |
2AeM6gKOnG3 |
| Name |
(4-Cyano-1-oxo-2-phenyl-5-(pyrrolidin-1-yl)-1,2,4a,5,6,7,8,9-octahydropyrimido[1,6-a]azepin-3-ylamino)acetic acid ethyl ester |
| Alternate Name(s) |
2-[[4-cyano-1-oxo-2-phenyl-5-(1-pyrrolidinyl)-4a,5,6,7,8,9-hexahydropyrimido[1,6-a]azepin-3-yl]amino]acetic acid ethyl ester
ethyl 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]acetate
ethyl 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]ethanoate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C24H31N5O3 |
| InChI |
InChI=1S/C24H31N5O3/c1-2-32-21(30)17-26-23-19(16-25)22-20(27-13-8-9-14-27)12-6-7-15-28(22)24(31)29(23)18-10-4-3-5-11-18/h3-5,10-11,20,22,26H,2,6-9,12-15,17H2,1H3 |
| InChIKey |
JSGKZIQMDVTVIJ-UHFFFAOYSA-N |
| Molecular Weight |
437.544 g/mol |
| SMILES |
N(C=1N(C(N2C(C(N3CCCC3)CCCC2)C1C#N)=O)c1ccccc1)CC(=O)OCC |
| SPLASH |
splash10-0002-0900200000-dde26b727a016262a647 |
| Source of Spectrum |
F2-45-3152-9 |
| Wiley ID |
1689215 |
![(4-Cyano-1-oxo-2-phenyl-5-(pyrrolidin-1-yl)-1,2,4a,5,6,7,8,9-octahydropyrimido[1,6-a]azepin-3-ylamino)acetic acid ethyl ester](/api/spectrum/2AeM6gKOnG3/structure.png?h=300&w=458 "(4-Cyano-1-oxo-2-phenyl-5-(pyrrolidin-1-yl)-1,2,4a,5,6,7,8,9-octahydropyrimido[1,6-a]azepin-3-ylamino)acetic acid ethyl ester")
