1-(1-adamantyl)-3-[1-[(3-chloranylphenoxy)methyl]pyrazol-4-yl]urea

Systemtic Name: 1-(1-adamantyl)-3-[1-[(3-chloranylphenoxy)methyl]pyrazol-4-yl]urea Openeye Name: 1-(1-adamantyl)-3-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]urea CAS Name: 1-(1-adamantyl)-3-[1-[(3-chlorophenoxy)methyl]-4-pyrazolyl]urea IUPAC Name: 1-(1-adamantyl)-3-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]urea Traditional Name: 1-(1-adamantyl)-3-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]urea Formula: C21H25ClN4O2 MolecularWeight: 400.9018

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)NC4=CN(N=C4)COC5=CC(=CC=C5)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)NC4=CN(N=C4)COC5=CC(=CC=C5)Cl

InChI

InChI=1S/C21H25ClN4O2/c22-17-2-1-3-19(7-17)28-13-26-12-18(11-23-26)24-20(27)25-21-8-14-4-15(9-21)6-16(5-14)10-21/h1-3,7,11-12,14-16H,4-6,8-10,13H2,(H2,24,25,27)