| SpectraBase Spectrum ID |
Lp3vDUp892y |
| Name |
1-Oxo-3-[(2-oxo-2-(pyrrolidin-1-yl)ethyl)amino]-2-phenyl-5-(pyrrolidin-1-yl)-1,2,4a,5,6,7,8,9-octahydro-pyrimido[1,6-a]azepine-4-carbonitrile |
| Alternate Name(s) |
1-oxo-3-[[2-oxo-2-(1-pyrrolidinyl)ethyl]amino]-2-phenyl-5-(1-pyrrolidinyl)-4a,5,6,7,8,9-hexahydropyrimido[1,6-a]azepine-4-carbonitrile
1-oxo-3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-2-phenyl-5-pyrrolidin-1-yl-4a,5,6,7,8,9-hexahydropyrimido[1,6-a]azepine-4-carbonitrile
1-oxo-3-[(2-oxo-2-pyrrolidin-1-yl-ethyl)amino]-2-phenyl-5-pyrrolidin-1-yl-4a,5,6,7,8,9-hexahydropyrimido[1,6-a]azepine-4-carbonitrile
1-oxidanylidene-3-[(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)amino]-2-phenyl-5-pyrrolidin-1-yl-4a,5,6,7,8,9-hexahydropyrimido[1,6-a]azepine-4-carbonitrile |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C26H34N6O2 |
| InChI |
InChI=1S/C26H34N6O2/c27-18-21-24-22(29-13-6-7-14-29)12-4-5-17-31(24)26(34)32(20-10-2-1-3-11-20)25(21)28-19-23(33)30-15-8-9-16-30/h1-3,10-11,22,24,28H,4-9,12-17,19H2 |
| InChIKey |
PJSRJTNKLLUESB-UHFFFAOYSA-N |
| Molecular Weight |
462.598 g/mol |
| SMILES |
N(C=1N(C(N2C(C(N3CCCC3)CCCC2)C1C#N)=O)c1ccccc1)CC(N1CCCC1)=O |
| SPLASH |
splash10-0002-0900300000-63a4b95a1f8d9d44aa27 |
| Source of Spectrum |
F2-45-3152-10a |
| Wiley ID |
1689214 |
![1-Oxo-3-[(2-oxo-2-(pyrrolidin-1-yl)ethyl)amino]-2-phenyl-5-(pyrrolidin-1-yl)-1,2,4a,5,6,7,8,9-octahydro-pyrimido[1,6-a]azepine-4-carbonitrile](/api/spectrum/Lp3vDUp892y/structure.png?h=300&w=458 "1-Oxo-3-[(2-oxo-2-(pyrrolidin-1-yl)ethyl)amino]-2-phenyl-5-(pyrrolidin-1-yl)-1,2,4a,5,6,7,8,9-octahydro-pyrimido[1,6-a]azepine-4-carbonitrile")
