1-(1-adamantyl)-3-[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]urea

Systemtic Name: 1-(1-adamantyl)-3-[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]urea Openeye Name: 1-(1-adamantyl)-3-[3,5-dimethyl-1-(1-naphthylmethyl)pyrazol-4-yl]urea CAS Name: 1-(1-adamantyl)-3-[3,5-dimethyl-1-(1-naphthalenylmethyl)-4-pyrazolyl]urea IUPAC Name: 1-(1-adamantyl)-3-[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]urea Traditional Name: 1-(1-adamantyl)-3-[3,5-dimethyl-1-(1-naphthylmethyl)pyrazol-4-yl]urea Formula: C27H32N4O MolecularWeight: 428.56918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC3=CC=CC=C32)C)NC(=O)NC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC3=CC=CC=C32)C)NC(=O)NC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C27H32N4O/c1-17-25(28-26(32)29-27-13-19-10-20(14-27)12-21(11-19)15-27)18(2)31(30-17)16-23-8-5-7-22-6-3-4-9-24(22)23/h3-9,19-21H,10-16H2,1-2H3,(H2,28,29,32)