3-(1-adamantyl)-N-(4-ethanoylphenyl)-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: 3-(1-adamantyl)-N-(4-ethanoylphenyl)-1-phenyl-pyrazole-4-carboxamide Openeye Name: N-(4-acetylphenyl)-3-(1-adamantyl)-1-phenyl-pyrazole-4-carboxamide CAS Name: N-(4-acetylphenyl)-3-(1-adamantyl)-1-phenyl-4-pyrazolecarboxamide IUPAC Name: N-(4-acetylphenyl)-3-(1-adamantyl)-1-phenylpyrazole-4-carboxamide Traditional Name: N-(4-acetylphenyl)-3-(1-adamantyl)-1-phenyl-pyrazole-4-carboxamide Formula: C28H29N3O2 MolecularWeight: 439.54876

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H29N3O2/c1-18(32)22-7-9-23(10-8-22)29-27(33)25-17-31(24-5-3-2-4-6-24)30-26(25)28-14-19-11-20(15-28)13-21(12-19)16-28/h2-10,17,19-21H,11-16H2,1H3,(H,29,33)