SpectraBase Spectrum ID |
E3mh73iAf99 |
Name |
1,2-Benzenedicarbonitrile, 4-nitro-5-(4-tricyclo[3.3.1.1(3,7)]dec-1-yl-1-piperazinyl)- |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C22H25N5O2 |
InChI |
InChI=1S/C22H25N5O2/c23-13-18-8-20(21(27(28)29)9-19(18)14-24)25-1-3-26(4-2-25)22-10-15-5-16(11-22)7-17(6-15)12-22/h8-9,15-17H,1-7,10-12H2/t15-,16+,17-,22- |
InChIKey |
PHSYVHQQWOOSCE-OMOYSXNNSA-N |
Molecular Weight |
391.475 g/mol |
SMILES |
C1[C@]2(C[C@@]3(C[C@](C2)(CC1(N1CCN(CC1)c1cc(C#N)c(C#N)cc1N(=O)=O)C3)[H])[H])[H] |
SPLASH |
splash10-000i-4911000000-cd7022e784895204ecf4 |
Source of Spectrum |
IY-1-4476-3 |
Synonyms |
4-[4-(1-adamantyl)-1-piperazinyl]-5-nitrobenzene-1,2-dicarbonitrile
4-[4-(1-adamantyl)piperazin-1-yl]-5-nitrobenzene-1,2-dicarbonitrile
4-[4-(1-adamantyl)piperazin-1-yl]-5-nitro-phthalonitrile
4-[4-(1-adamantyl)piperazin-1-yl]-5-nitro-benzene-1,2-dicarbonitrile |
Wiley ID |
1652746 |