3-(1-adamantyl)-N-(2,5-dimethylphenyl)-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: 3-(1-adamantyl)-N-(2,5-dimethylphenyl)-1-phenyl-pyrazole-4-carboxamide Openeye Name: 3-(1-adamantyl)-N-(2,5-dimethylphenyl)-1-phenyl-pyrazole-4-carboxamide CAS Name: 3-(1-adamantyl)-N-(2,5-dimethylphenyl)-1-phenyl-4-pyrazolecarboxamide IUPAC Name: 3-(1-adamantyl)-N-(2,5-dimethylphenyl)-1-phenylpyrazole-4-carboxamide Traditional Name: 3-(1-adamantyl)-N-(2,5-dimethylphenyl)-1-phenyl-pyrazole-4-carboxamide Formula: C28H31N3O MolecularWeight: 425.56524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)C2=CN(N=C2C34CC5CC(C3)CC(C5)C4)C6=CC=CC=C6

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)C2=CN(N=C2C34CC5CC(C3)CC(C5)C4)C6=CC=CC=C6

InChI

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