Formula |
C20H22N4O |
IUPAC Name |
n-[[4-(2-cyanophenyl)piperazin-1-yl]methyl]-3-methyl-benzamide |
Molecular Mass |
334.415 g·mol−1 |
Heat of Formation |
172.7 ± 16.7 kJ·mol−1 |
Dipole Moment |
7.64 ± 1.08 D |
Volume |
420.33 Å 3 |
Surface Area |
369.24 Å 2 |
HOMO Energy |
-8.80 ± 0.55 eV |
LUMO Energy |
-0.59 ± eV |
Point Group Symmetry |
C1
|
Synonyms
|
- biomol-nt_000050
- bpbio1_001301
- n-[[4-(2-cyanophenyl)-1-piperazinyl]methyl]-3-methylbenzamide
- n-[[4-(2-cyanophenyl)piperazin-1-yl]methyl]-3-methyl-benzamide
- n-[[4-(2-cyanophenyl)piperazin-1-yl]methyl]-3-methylbenzamide
- tocris-1065
|
InChIKey |
DNULYRGWTFLJQL-UHFFFAOYSA-N |
QR Code |
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Links |
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|
DOI |
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Downloads |
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|
Elements |
H
C
O
N
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