| SpectraBase Spectrum ID |
6bjJoH2HG7Q |
| Name |
3-Imino-1-oxo-2-phenyl-5-(pyrrolidin-1-yl)-1,2,3,5,6,7,8,9-octahydropyrimido[1,6-a]azepine-4-carbonitrile |
| Alternate Name(s) |
3-imino-1-oxo-2-phenyl-5-(1-pyrrolidinyl)-6,7,8,9-tetrahydro-5H-pyrimido[1,6-a]azepine-4-carbonitrile
3-imino-1-oxo-2-phenyl-5-pyrrolidin-1-yl-6,7,8,9-tetrahydro-5H-pyrimido[1,6-a]azepine-4-carbonitrile
3-azanylidene-1-oxidanylidene-2-phenyl-5-pyrrolidin-1-yl-6,7,8,9-tetrahydro-5H-pyrimido[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 |
C20H23N5O |
| InChI |
InChI=1S/C20H23N5O/c21-14-16-18-17(23-11-6-7-12-23)10-4-5-13-24(18)20(26)25(19(16)22)15-8-2-1-3-9-15/h1-3,8-9,17,22H,4-7,10-13H2 |
| InChIKey |
ADVWRHQQTDKLMY-UHFFFAOYSA-N |
| Molecular Weight |
349.438 g/mol |
| SMILES |
N=C1C(=C2C(N3CCCC3)CCCCN2C(N1c1ccccc1)=O)C#N |
| SPLASH |
splash10-0002-0903000000-a95ec7c11f27d36510a8 |
| Source of Spectrum |
F2-45-3150-3 |
| Wiley ID |
1689220 |
![3-Imino-1-oxo-2-phenyl-5-(pyrrolidin-1-yl)-1,2,3,5,6,7,8,9-octahydropyrimido[1,6-a]azepine-4-carbonitrile](/api/spectrum/6bjJoH2HG7Q/structure.png?h=300&w=458 "3-Imino-1-oxo-2-phenyl-5-(pyrrolidin-1-yl)-1,2,3,5,6,7,8,9-octahydropyrimido[1,6-a]azepine-4-carbonitrile")
