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

Systemtic Name: 1-(1-adamantyl)-3-[1-(phenylmethyl)pyrazol-4-yl]urea Openeye Name: 1-(1-adamantyl)-3-(1-benzylpyrazol-4-yl)urea CAS Name: 1-(1-adamantyl)-3-[1-(phenylmethyl)-4-pyrazolyl]urea IUPAC Name: 1-(1-adamantyl)-3-(1-benzylpyrazol-4-yl)urea Traditional Name: 1-(1-adamantyl)-3-(1-benzylpyrazol-4-yl)urea Formula: C21H26N4O MolecularWeight: 350.45734

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)NC4=CN(N=C4)CC5=CC=CC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)NC4=CN(N=C4)CC5=CC=CC=C5

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)