5-(3,4-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-2-(3-nitrophenyl)pyrazole-3-carboxamide

Systemtic Name: 5-(3,4-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-2-(3-nitrophenyl)pyrazole-3-carboxamide Openeye Name: 5-(3,4-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-2-(3-nitrophenyl)pyrazole-3-carboxamide CAS Name: 5-(3,4-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-2-(3-nitrophenyl)-3-pyrazolecarboxamide IUPAC Name: 5-(3,4-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-2-(3-nitrophenyl)pyrazole-3-carboxamide Traditional Name: 5-(3,4-dimethylphenyl)-N-(4-fluorobenzyl)-2-(3-nitrophenyl)pyrazole-3-carboxamide Formula: C25H21FN4O3 MolecularWeight: 444.457643

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN(C(=C2)C(=O)NCC3=CC=C(C=C3)F)C4=CC(=CC=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN(C(=C2)C(=O)NCC3=CC=C(C=C3)F)C4=CC(=CC=C4)[N+](=O)[O-])C

InChI

InChI=1S/C25H21FN4O3/c1-16-6-9-19(12-17(16)2)23-14-24(25(31)27-15-18-7-10-20(26)11-8-18)29(28-23)21-4-3-5-22(13-21)30(32)33/h3-14H,15H2,1-2H3,(H,27,31)