N-(1-adamantyl)-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide

Systemtic Name: N-(1-adamantyl)-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide Openeye Name: N-(1-adamantyl)-3-(p-tolyl)-1H-pyrazole-5-carboxamide CAS Name: N-(1-adamantyl)-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide IUPAC Name: N-(1-adamantyl)-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide Traditional Name: N-(1-adamantyl)-3-(p-tolyl)-1H-pyrazole-5-carboxamide Formula: C21H25N3O MolecularWeight: 335.4427

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NNC(=C2)C(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NNC(=C2)C(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H25N3O/c1-13-2-4-17(5-3-13)18-9-19(24-23-18)20(25)22-21-10-14-6-15(11-21)8-16(7-14)12-21/h2-5,9,14-16H,6-8,10-12H2,1H3,(H,22,25)(H,23,24)