| SpectraBase Spectrum ID |
D4KozWuIgOy |
| 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)-2-hydroxybenzamide |
| Alternate Name(s) |
N-[4-cyano-1-oxo-2-phenyl-5-(1-pyrrolidinyl)-4a,5,6,7,8,9-hexahydropyrimido[1,6-a]azepin-3-yl]-2-hydroxybenzamide
N-(4-cyano-1-oxo-2-phenyl-5-pyrrolidin-1-yl-4a,5,6,7,8,9-hexahydropyrimido[1,6-a]azepin-3-yl)-2-hydroxybenzamide
N-(4-cyano-1-oxo-2-phenyl-5-pyrrolidin-1-yl-4a,5,6,7,8,9-hexahydropyrimido[1,6-a]azepin-3-yl)-2-hydroxy-benzamide
N-(4-cyano-1-oxidanylidene-2-phenyl-5-pyrrolidin-1-yl-4a,5,6,7,8,9-hexahydropyrimido[1,6-a]azepin-3-yl)-2-oxidanyl-benzamide |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H29N5O3 |
| InChI |
InChI=1S/C27H29N5O3/c28-18-21-24-22(30-15-8-9-16-30)13-6-7-17-31(24)27(35)32(19-10-2-1-3-11-19)25(21)29-26(34)20-12-4-5-14-23(20)33/h1-5,10-12,14,22,24,33H,6-9,13,15-17H2,(H,29,34) |
| InChIKey |
LPRPHULGCMRTTA-UHFFFAOYSA-N |
| Molecular Weight |
471.561 g/mol |
| SMILES |
N(C=1N(C(=O)N2C(C1C#N)C(N1CCCC1)CCCC2)c1ccccc1)C(c1c(cccc1)O)=O |
| SPLASH |
splash10-03k9-0090500000-f66361b8300084e50bbc |
| Source of Spectrum |
F2-45-3153-13a |
| Wiley ID |
1689212 |
![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)-2-hydroxybenzamide](/api/spectrum/D4KozWuIgOy/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)-2-hydroxybenzamide")
