N-[5-tert-butyl-2-(2,3-dimethylphenyl)pyrazol-3-yl]-4-hexyl-benzamide

Systemtic Name: N-[5-tert-butyl-2-(2,3-dimethylphenyl)pyrazol-3-yl]-4-hexyl-benzamide Openeye Name: N-[5-tert-butyl-2-(2,3-dimethylphenyl)pyrazol-3-yl]-4-hexyl-benzamide CAS Name: N-[5-tert-butyl-2-(2,3-dimethylphenyl)-3-pyrazolyl]-4-hexylbenzamide IUPAC Name: N-[5-tert-butyl-2-(2,3-dimethylphenyl)pyrazol-3-yl]-4-hexylbenzamide Traditional Name: N-[5-tert-butyl-2-(2,3-dimethylphenyl)pyrazol-3-yl]-4-hexyl-benzamide Formula: C28H37N3O MolecularWeight: 431.61288

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C(=O)NC2=CC(=NN2C3=CC=CC(=C3C)C)C(C)(C)C

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C(=O)NC2=CC(=NN2C3=CC=CC(=C3C)C)C(C)(C)C

InChI

InChI=1S/C28H37N3O/c1-7-8-9-10-13-22-15-17-23(18-16-22)27(32)29-26-19-25(28(4,5)6)30-31(26)24-14-11-12-20(2)21(24)3/h11-12,14-19H,7-10,13H2,1-6H3,(H,29,32)