3-(1-adamantyl)-N-(2-methylpropyl)-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: 3-(1-adamantyl)-N-(2-methylpropyl)-1-phenyl-pyrazole-4-carboxamide Openeye Name: 3-(1-adamantyl)-N-isobutyl-1-phenyl-pyrazole-4-carboxamide CAS Name: 3-(1-adamantyl)-N-(2-methylpropyl)-1-phenyl-4-pyrazolecarboxamide IUPAC Name: 3-(1-adamantyl)-N-(2-methylpropyl)-1-phenylpyrazole-4-carboxamide Traditional Name: 3-(1-adamantyl)-N-isobutyl-1-phenyl-pyrazole-4-carboxamide Formula: C24H31N3O MolecularWeight: 377.52244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=CN(N=C1C23CC4CC(C2)CC(C4)C3)C5=CC=CC=C5

Isomeric SMILES

CC(C)CNC(=O)C1=CN(N=C1C23CC4CC(C2)CC(C4)C3)C5=CC=CC=C5

InChI

InChI=1S/C24H31N3O/c1-16(2)14-25-23(28)21-15-27(20-6-4-3-5-7-20)26-22(21)24-11-17-8-18(12-24)10-19(9-17)13-24/h3-7,15-19H,8-14H2,1-2H3,(H,25,28)