5-tert-butyl-2-methyl-N-[3-(4-pentylphenyl)carbonylphenyl]pyrazole-3-carboxamide

Systemtic Name: 5-tert-butyl-2-methyl-N-[3-(4-pentylphenyl)carbonylphenyl]pyrazole-3-carboxamide Openeye Name: 5-tert-butyl-2-methyl-N-[3-(4-pentylbenzoyl)phenyl]pyrazole-3-carboxamide CAS Name: 5-tert-butyl-2-methyl-N-[3-[oxo-(4-pentylphenyl)methyl]phenyl]-3-pyrazolecarboxamide IUPAC Name: 5-tert-butyl-2-methyl-N-[3-(4-pentylbenzoyl)phenyl]pyrazole-3-carboxamide Traditional Name: N-[3-(4-amylbenzoyl)phenyl]-5-tert-butyl-2-methyl-pyrazole-3-carboxamide Formula: C27H33N3O2 MolecularWeight: 431.56982

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(=O)C2=CC(=CC=C2)NC(=O)C3=CC(=NN3C)C(C)(C)C

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(=O)C2=CC(=CC=C2)NC(=O)C3=CC(=NN3C)C(C)(C)C

InChI

InChI=1S/C27H33N3O2/c1-6-7-8-10-19-13-15-20(16-14-19)25(31)21-11-9-12-22(17-21)28-26(32)23-18-24(27(2,3)4)29-30(23)5/h9,11-18H,6-8,10H2,1-5H3,(H,28,32)