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Doconazole

PropertiesImage
MNX_IDMNXM51428 Image of MNXM51428
referencechebi:177755
formulaC26H22Cl2N2O3
global charge0
mol weight481.379
InChIKeyGNZHVEIGGFMLSP-OZXSUGGESA-N
InChIInChI=1S/C26H22Cl2N2O3/c27-21-8-11-24(25(28)14-21)26(17-30-13-12-29-18-30)32-16-23(33-26)15-31-22-9-6-20(7-10-22)19-4-2-1-3-5-19/h1-14,18,23H,15-17H2/t23-,26-/m0/s1
SMILESClC1=CC(Cl)=C([C@@]2(CN3C=CN=C3)OC[C@H](COC3=CC=C(C4=CC=CC=C4)C=C3)O2)C=C1
MNX internals
InChI (mnx)InChI=1/C26H22Cl2N2O3/c27-21-8-11-24(25(28)14-21)26(17-30-13-12-29-18-30)32-16-23(33-26)15-31-22-9-6-20(7-10-22)19-4-2-1-3-5-19/h1-14,18,23H,15-17H2/t23-,26-/m0/s1 Image of MNXM51428
SMILES (mnx)[CH:1]1=[CH:2][CH:4]=[C:19]([C:20]2=[CH:7][CH:10]=[C:22]([O:31][CH2:15][C@H:23]3[CH2:16][O:32][C@:26]([CH2:17][N:30]4[CH:13]=[CH:12][N:29]=[CH:18]4)([C:24]4=[C:25]([Cl:28])[CH:14]=[C:21]([Cl:27])[CH:8]=[CH:11]4)[O:33]3)[CH:9]=[CH:6]2)[CH:5]=[CH:3]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:177755
chebi:177755
GNZHVEIGGFMLSP-OZXSUGGESA-N 		Doconazole
1-[[(2R,4S)-2-(2,4-dichlorophenyl)-4-[(4-phenylphenoxy)methyl]-1,3-dioxolan-2-yl]methyl]imidazole

kegg.drug:D03883
keggD:D03883
GNZHVEIGGFMLSP-OZXSUGGESA-N 		Doconazole (USAN/INN)

keggD:M_D03883 		secondary/obsolete/fantasy identifier