1-(1-adamantyl)-3-[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]pyrazol-4-yl]urea

Systemtic Name: 1-(1-adamantyl)-3-[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]pyrazol-4-yl]urea Openeye Name: 1-(1-adamantyl)-3-[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]pyrazol-4-yl]urea CAS Name: 1-(1-adamantyl)-3-[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]-4-pyrazolyl]urea IUPAC Name: 1-(1-adamantyl)-3-[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]pyrazol-4-yl]urea Traditional Name: 1-(1-adamantyl)-3-[3,5-dimethyl-1-(3-phenoxybenzyl)pyrazol-4-yl]urea Formula: C29H34N4O2 MolecularWeight: 470.60586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC(=CC=C2)OC3=CC=CC=C3)C)NC(=O)NC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1=C(C(=NN1CC2=CC(=CC=C2)OC3=CC=CC=C3)C)NC(=O)NC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C29H34N4O2/c1-19-27(30-28(34)31-29-15-22-11-23(16-29)13-24(12-22)17-29)20(2)33(32-19)18-21-7-6-10-26(14-21)35-25-8-4-3-5-9-25/h3-10,14,22-24H,11-13,15-18H2,1-2H3,(H2,30,31,34)