| SpectraBase Spectrum ID |
CuMQeThvj2o |
| Name |
1-Oxo-2-phenyl-5-(pyrrolidin-1-yl)-3-[(1-pyrrolidinylmethyl)-amino]-1,2,4a,5,6,7,8,9-octahydropyrimido[1,6-a]azepine-4-carbonitrile |
| Alternate Name(s) |
1-oxo-2-phenyl-5-(1-pyrrolidinyl)-3-(1-pyrrolidinylmethylamino)-4a,5,6,7,8,9-hexahydropyrimido[1,6-a]azepine-4-carbonitrile
1-oxo-2-phenyl-5-pyrrolidin-1-yl-3-(pyrrolidin-1-ylmethylamino)-4a,5,6,7,8,9-hexahydropyrimido[1,6-a]azepine-4-carbonitrile
1-oxidanylidene-2-phenyl-5-pyrrolidin-1-yl-3-(pyrrolidin-1-ylmethylamino)-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 |
C25H34N6O |
| InChI |
InChI=1S/C25H34N6O/c26-18-21-23-22(29-15-8-9-16-29)12-4-5-17-30(23)25(32)31(20-10-2-1-3-11-20)24(21)27-19-28-13-6-7-14-28/h1-3,10-11,22-23,27H,4-9,12-17,19H2 |
| InChIKey |
QCFPHRWEYJTIDI-UHFFFAOYSA-N |
| Molecular Weight |
434.588 g/mol |
| SMILES |
N(C=1N(C(=O)N2C(C1C#N)C(N1CCCC1)CCCC2)c1ccccc1)CN1CCCC1 |
| SPLASH |
splash10-0002-0900300000-3a25727ef2f87cfb000c |
| Source of Spectrum |
F2-45-3150-5a |
| Wiley ID |
1689218 |
![1-Oxo-2-phenyl-5-(pyrrolidin-1-yl)-3-[(1-pyrrolidinylmethyl)-amino]-1,2,4a,5,6,7,8,9-octahydropyrimido[1,6-a]azepine-4-carbonitrile](/api/spectrum/CuMQeThvj2o/structure.png?h=300&w=458 "1-Oxo-2-phenyl-5-(pyrrolidin-1-yl)-3-[(1-pyrrolidinylmethyl)-amino]-1,2,4a,5,6,7,8,9-octahydropyrimido[1,6-a]azepine-4-carbonitrile")
