COMPOUND: C22722
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Entry
C22722 Compound
Name
Cumyl-4CN-BINACA;
1-(4-Cyanobutyl)-N-(2-phenylpropan-2-yl)-1H-indazole-3-carboxamide;
4-Cyano Cumyl-BUTINACA;
SGT-78
Formula
C22H24N4O
Exact mass
360.195
Mol weight
360.4522
Structure
Mol file
KCF file
DB search
Brite
Narcotics and psychotropics in Japan [
br08308.html
]
Narcotics by Cabinet Order Article 1 (157 substances)
C22722
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Other DBs
CAS:
1631074-54-8
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KCF data
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ATOM 27
1 C8x C 13.4067 -14.9895
2 C8x C 13.4067 -16.3897
3 C8x C 14.5269 -17.0899
4 C8y C 15.7872 -16.3897
5 C8y C 15.7872 -14.9895
6 C8x C 14.5269 -14.2894
7 N4y N 17.1874 -16.8098
8 N5x N 18.0276 -15.6896
9 C8y C 17.1874 -14.5694
10 C1b C 17.7476 -18.2101
11 C1b C 19.6379 -19.5404
12 C1b C 19.1478 -18.3501
13 C3b C 21.4583 -20.9406
14 C1b C 20.9681 -19.7504
15 N1b N 19.0778 -13.0992
16 C5a C 17.7476 -13.3092
17 C1d C 19.6379 -11.8389
18 O5a O 16.9074 -12.1890
19 N3a N 21.9304 -22.2579
20 C1a C 21.0628 -11.6883
21 C1a C 18.8143 -10.7068
22 C8y C 20.3379 -10.6265
23 C8x C 21.7699 -10.6262
24 C8x C 22.4697 -9.4136
25 C8x C 21.7694 -8.2013
26 C8x C 20.3373 -8.2016
27 C8x C 19.6376 -9.4142
BOND 29
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 4 7 1
8 7 8 1
9 8 9 2
10 5 9 1
11 7 10 1
12 11 12 1
13 10 12 1
14 13 14 1
15 11 14 1
16 15 16 1
17 9 16 1
18 15 17 1
19 16 18 2
20 13 19 3
21 17 20 1
22 17 21 1
23 17 22 1
24 22 23 2
25 23 24 1
26 24 25 2
27 25 26 1
28 26 27 2
29 22 27 1
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