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

Systemtic Name: N-[3-(4-butoxyphenyl)carbonylphenyl]-5-tert-butyl-2-methyl-pyrazole-3-carboxamide Openeye Name: N-[3-(4-butoxybenzoyl)phenyl]-5-tert-butyl-2-methyl-pyrazole-3-carboxamide CAS Name: N-[3-[(4-butoxyphenyl)-oxomethyl]phenyl]-5-tert-butyl-2-methyl-3-pyrazolecarboxamide IUPAC Name: N-[3-(4-butoxybenzoyl)phenyl]-5-tert-butyl-2-methylpyrazole-3-carboxamide Traditional Name: N-[3-(4-butoxybenzoyl)phenyl]-5-tert-butyl-2-methyl-pyrazole-3-carboxamide Formula: C26H31N3O3 MolecularWeight: 433.54264

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)C2=CC(=CC=C2)NC(=O)C3=CC(=NN3C)C(C)(C)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)C2=CC(=CC=C2)NC(=O)C3=CC(=NN3C)C(C)(C)C

InChI

InChI=1S/C26H31N3O3/c1-6-7-15-32-21-13-11-18(12-14-21)24(30)19-9-8-10-20(16-19)27-25(31)22-17-23(26(2,3)4)28-29(22)5/h8-14,16-17H,6-7,15H2,1-5H3,(H,27,31)