1-(1-adamantyl)-3-[1-(phenylmethyl)-4-pyrazolyl]urea

Properties Image MNX_ID MNXM179526 reference chebi:114972 formula C21H26N4O global charge 0 mol weight 350.466 InChIKey OIOPLWGPWFSWNX-UHFFFAOYSA-N InChI InChI=1S/C21H26N4O/c26-20(24-21-9-16-6-17(10-21)8-18(7-16)11-21)23-19-12-22-25(14-19)13-15-4-2-1-3-5-15/h1-5,12,14,16-18H,6-11,13H2,(H2,23,24,26) SMILES O=C(NC1=CN(CC2=CC=CC=C2)N=C1)NC12CC3CC(CC(C3)C1)C2 MNX internals InChI (mnx) InChI=1/C21H26N4O/c26-20(24-21-9-16-6-17(10-21)8-18(7-16)11-21)23-19-12-22-25(14-19)13-15-4-2-1-3-5-15/h1-5,12,14,16-18H,6-11,13H2,(H2,23,24,26)/t16?,17?,18?,21? SMILES (mnx) [CH:1]1=[CH:2][CH:4]=[C:15]([CH2:13][N:25]2[CH:14]=[C:19]([N:23]=[C:20]([NH:24][C:21]34[CH2:9][CH:16]5[CH2:6][CH:17]([CH2:8][CH:18]([CH2:7]5)[CH2:11]3)[CH2:10]4)[OH:26])[CH:12]=[N:22]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