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suvorexant

PropertiesImage
MNX_IDMNXM109117 Image of MNXM109117
referencechebi:82698
formulaC23H23ClN6O2
global charge0
mol weight450.93
InChIKeyJYTNQNCOQXFQPK-MRXNPFEDSA-N
InChIInChI=1S/C23H23ClN6O2/c1-15-3-5-20(30-25-8-9-26-30)18(13-15)22(31)29-12-11-28(10-7-16(29)2)23-27-19-14-17(24)4-6-21(19)32-23/h3-6,8-9,13-14,16H,7,10-12H2,1-2H3/t16-/m1/s1
SMILESCC1=CC=C(N2N=CC=N2)C(C(=O)N2CCN(C3=NC4=CC(Cl)=CC=C4O3)CC[C@H]2C)=C1
MNX internals
InChI (mnx)InChI=1/C23H23ClN6O2/c1-15-3-5-20(30-25-8-9-26-30)18(13-15)22(31)29-12-11-28(10-7-16(29)2)23-27-19-14-17(24)4-6-21(19)32-23/h3-6,8-9,13-14,16H,7,10-12H2,1-2H3/t16-/m1/s1 Image of MNXM109117
SMILES (mnx)[CH3:1][C:15]1=[CH:13][C:18]([C:22]([N:29]2[CH2:12][CH2:11][N:28]([C:23]3=[N:27][C:19]4=[C:21]([CH:6]=[CH:4][C:17]([Cl:24])=[CH:14]4)[O:32]3)[CH2:10][CH2:7][C@H:16]2[CH3:2])=[O:31])=[C:20]([N:30]2[N:25]=[CH:8][CH:9]=[N:26]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:82698
chebi:82698
JYTNQNCOQXFQPK-MRXNPFEDSA-N 		suvorexant
BELSOMRA
MK 4305
MK-4305
MK4305
[(7R)-4-(5-chloro-1,3-benzoxazol-2-yl)-7-methyl-1,4-diazepan-1-yl][5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl]methanone

kegg.drug:D10082
keggD:D10082
JYTNQNCOQXFQPK-MRXNPFEDSA-N 		Suvorexant (JAN/USAN)
Belsomra (TN)
MK-4305
hmdb:HMDB0258640
JYTNQNCOQXFQPK-UHFFFAOYSA-N 		Suvorexant
5-chloro-2-{5-methyl-4-[5-methyl-2-(2H-1,2,3-triazol-2-yl)benzoyl]-1,4-diazepan-1-yl}-1,3-benzoxazole
suvorexant

keggD:M_D10082 		secondary/obsolete/fantasy identifier