N-(2-adamantyl)-5-methyl-1,3-diphenyl-pyrazole-4-carboxamide

Systemtic Name: N-(2-adamantyl)-5-methyl-1,3-diphenyl-pyrazole-4-carboxamide Openeye Name: N-(2-adamantyl)-5-methyl-1,3-diphenyl-pyrazole-4-carboxamide CAS Name: N-(2-adamantyl)-5-methyl-1,3-diphenyl-4-pyrazolecarboxamide IUPAC Name: N-(2-adamantyl)-5-methyl-1,3-diphenylpyrazole-4-carboxamide Traditional Name: N-(2-adamantyl)-5-methyl-1,3-diphenyl-pyrazole-4-carboxamide Formula: C27H29N3O MolecularWeight: 411.53866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C3=CC=CC=C3)C(=O)NC4C5CC6CC(C5)CC4C6

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C3=CC=CC=C3)C(=O)NC4C5CC6CC(C5)CC4C6

InChI

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