N-[2-(4-methylphenyl)-5-phenyl-pyrazol-3-yl]adamantane-1-carboxamide

Systemtic Name: N-[2-(4-methylphenyl)-5-phenyl-pyrazol-3-yl]adamantane-1-carboxamide Openeye Name: N-[5-phenyl-2-(p-tolyl)pyrazol-3-yl]adamantane-1-carboxamide CAS Name: N-[2-(4-methylphenyl)-5-phenyl-3-pyrazolyl]-1-adamantanecarboxamide IUPAC Name: N-[2-(4-methylphenyl)-5-phenylpyrazol-3-yl]adamantane-1-carboxamide Traditional Name: N-[5-phenyl-2-(p-tolyl)pyrazol-3-yl]adamantane-1-carboxamide Formula: C27H29N3O MolecularWeight: 411.53866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=CC(=N2)C3=CC=CC=C3)NC(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=CC(=N2)C3=CC=CC=C3)NC(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C27H29N3O/c1-18-7-9-23(10-8-18)30-25(14-24(29-30)22-5-3-2-4-6-22)28-26(31)27-15-19-11-20(16-27)13-21(12-19)17-27/h2-10,14,19-21H,11-13,15-17H2,1H3,(H,28,31)