2-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]-N-[3-(2-pyridin-2-ylethynyl)phenyl]ethanamide

Systemtic Name: 2-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]-N-[3-(2-pyridin-2-ylethynyl)phenyl]ethanamide Openeye Name: 2-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]-N-[3-[2-(2-pyridyl)ethynyl]phenyl]acetamide CAS Name: 2-[3-(4-nitrophenyl)-1-phenyl-4-pyrazolyl]-N-[3-[2-(2-pyridinyl)ethynyl]phenyl]acetamide IUPAC Name: 2-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]-N-[3-(2-pyridin-2-ylethynyl)phenyl]acetamide Traditional Name: 2-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]-N-[3-[2-(2-pyridyl)ethynyl]phenyl]acetamide Formula: C30H21N5O3 MolecularWeight: 499.51944

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)[N+](=O)[O-])CC(=O)NC4=CC=CC(=C4)C#CC5=CC=CC=N5

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)[N+](=O)[O-])CC(=O)NC4=CC=CC(=C4)C#CC5=CC=CC=N5

InChI

InChI=1S/C30H21N5O3/c36-29(32-26-9-6-7-22(19-26)12-15-25-8-4-5-18-31-25)20-24-21-34(27-10-2-1-3-11-27)33-30(24)23-13-16-28(17-14-23)35(37)38/h1-11,13-14,16-19,21H,20H2,(H,32,36)