N-hexyl-2-(4-nitrophenyl)-5-phenyl-pyrazole-3-carboxamide

Systemtic Name: N-hexyl-2-(4-nitrophenyl)-5-phenyl-pyrazole-3-carboxamide Openeye Name: N-hexyl-2-(4-nitrophenyl)-5-phenyl-pyrazole-3-carboxamide CAS Name: N-hexyl-2-(4-nitrophenyl)-5-phenyl-3-pyrazolecarboxamide IUPAC Name: N-hexyl-2-(4-nitrophenyl)-5-phenylpyrazole-3-carboxamide Traditional Name: N-hexyl-2-(4-nitrophenyl)-5-phenyl-pyrazole-3-carboxamide Formula: C22H24N4O3 MolecularWeight: 392.45096

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)C1=CC(=NN1C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CCCCCCNC(=O)C1=CC(=NN1C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C22H24N4O3/c1-2-3-4-8-15-23-22(27)21-16-20(17-9-6-5-7-10-17)24-25(21)18-11-13-19(14-12-18)26(28)29/h5-7,9-14,16H,2-4,8,15H2,1H3,(H,23,27)