1-(3-nitrophenyl)-N-[3-(2-pyridin-2-ylethynyl)phenyl]pyrazole-3-carboxamide

Systemtic Name: 1-(3-nitrophenyl)-N-[3-(2-pyridin-2-ylethynyl)phenyl]pyrazole-3-carboxamide Openeye Name: 1-(3-nitrophenyl)-N-[3-[2-(2-pyridyl)ethynyl]phenyl]pyrazole-3-carboxamide CAS Name: 1-(3-nitrophenyl)-N-[3-[2-(2-pyridinyl)ethynyl]phenyl]-3-pyrazolecarboxamide IUPAC Name: 1-(3-nitrophenyl)-N-[3-(2-pyridin-2-ylethynyl)phenyl]pyrazole-3-carboxamide Traditional Name: 1-(3-nitrophenyl)-N-[3-[2-(2-pyridyl)ethynyl]phenyl]pyrazole-3-carboxamide Formula: C23H15N5O3 MolecularWeight: 409.3969

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C#CC2=CC(=CC=C2)NC(=O)C3=NN(C=C3)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=NC(=C1)C#CC2=CC(=CC=C2)NC(=O)C3=NN(C=C3)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H15N5O3/c29-23(22-12-14-27(26-22)20-8-4-9-21(16-20)28(30)31)25-19-7-3-5-17(15-19)10-11-18-6-1-2-13-24-18/h1-9,12-16H,(H,25,29)