N-[2-tert-butyl-5-(pyrazol-1-ylmethyl)phenyl]-3-(2,4,5-trimethoxyphenyl)octanamide

Systemtic Name: N-[2-tert-butyl-5-(pyrazol-1-ylmethyl)phenyl]-3-(2,4,5-trimethoxyphenyl)octanamide Openeye Name: N-[2-tert-butyl-5-(pyrazol-1-ylmethyl)phenyl]-3-(2,4,5-trimethoxyphenyl)octanamide CAS Name: N-[2-tert-butyl-5-(1-pyrazolylmethyl)phenyl]-3-(2,4,5-trimethoxyphenyl)octanamide IUPAC Name: N-[2-tert-butyl-5-(pyrazol-1-ylmethyl)phenyl]-3-(2,4,5-trimethoxyphenyl)octanamide Traditional Name: 3-asaryl-N-[2-tert-butyl-5-(pyrazol-1-ylmethyl)phenyl]caprylamide Formula: C31H43N3O4 MolecularWeight: 521.69082

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC(=O)NC1=C(C=CC(=C1)CN2C=CC=N2)C(C)(C)C)C3=CC(=C(C=C3OC)OC)OC

Isomeric SMILES

CCCCCC(CC(=O)NC1=C(C=CC(=C1)CN2C=CC=N2)C(C)(C)C)C3=CC(=C(C=C3OC)OC)OC

InChI

InChI=1S/C31H43N3O4/c1-8-9-10-12-23(24-19-28(37-6)29(38-7)20-27(24)36-5)18-30(35)33-26-17-22(21-34-16-11-15-32-34)13-14-25(26)31(2,3)4/h11,13-17,19-20,23H,8-10,12,18,21H2,1-7H3,(H,33,35)