N-hexyl-5-(3-methoxyphenyl)-2-(3-nitrophenyl)pyrazole-3-carboxamide

Systemtic Name: N-hexyl-5-(3-methoxyphenyl)-2-(3-nitrophenyl)pyrazole-3-carboxamide Openeye Name: N-hexyl-5-(3-methoxyphenyl)-2-(3-nitrophenyl)pyrazole-3-carboxamide CAS Name: N-hexyl-5-(3-methoxyphenyl)-2-(3-nitrophenyl)-3-pyrazolecarboxamide IUPAC Name: N-hexyl-5-(3-methoxyphenyl)-2-(3-nitrophenyl)pyrazole-3-carboxamide Traditional Name: N-hexyl-5-(3-methoxyphenyl)-2-(3-nitrophenyl)pyrazole-3-carboxamide Formula: C23H26N4O4 MolecularWeight: 422.47694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N4O4/c1-3-4-5-6-13-24-23(28)22-16-21(17-9-7-12-20(14-17)31-2)25-26(22)18-10-8-11-19(15-18)27(29)30/h7-12,14-16H,3-6,13H2,1-2H3,(H,24,28)