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

Systemtic Name: N-[2-(2,4-dimethylphenyl)-5-phenyl-pyrazol-3-yl]adamantane-1-carboxamide Openeye Name: N-[2-(2,4-dimethylphenyl)-5-phenyl-pyrazol-3-yl]adamantane-1-carboxamide CAS Name: N-[2-(2,4-dimethylphenyl)-5-phenyl-3-pyrazolyl]-1-adamantanecarboxamide IUPAC Name: N-[2-(2,4-dimethylphenyl)-5-phenylpyrazol-3-yl]adamantane-1-carboxamide Traditional Name: N-[2-(2,4-dimethylphenyl)-5-phenyl-pyrazol-3-yl]adamantane-1-carboxamide Formula: C28H31N3O MolecularWeight: 425.56524

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C28H31N3O/c1-18-8-9-25(19(2)10-18)31-26(14-24(30-31)23-6-4-3-5-7-23)29-27(32)28-15-20-11-21(16-28)13-22(12-20)17-28/h3-10,14,20-22H,11-13,15-17H2,1-2H3,(H,29,32)