1-(1-adamantyl)-3-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]urea

Systemtic Name: 1-(1-adamantyl)-3-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]urea Openeye Name: 1-(1-adamantyl)-3-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]urea CAS Name: 1-(1-adamantyl)-3-[1-[(2-chlorophenyl)methyl]-4-pyrazolyl]urea IUPAC Name: 1-(1-adamantyl)-3-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]urea Traditional Name: 1-(1-adamantyl)-3-[1-(2-chlorobenzyl)pyrazol-4-yl]urea Formula: C21H25ClN4O MolecularWeight: 384.9024

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)NC4=CN(N=C4)CC5=CC=CC=C5Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)NC4=CN(N=C4)CC5=CC=CC=C5Cl

InChI

InChI=1S/C21H25ClN4O/c22-19-4-2-1-3-17(19)12-26-13-18(11-23-26)24-20(27)25-21-8-14-5-15(9-21)7-16(6-14)10-21/h1-4,11,13-16H,5-10,12H2,(H2,24,25,27)