5-(4-fluorophenyl)-N-(3-methylbutyl)-2-(3-nitrophenyl)pyrazole-3-carboxamide

Systemtic Name: 5-(4-fluorophenyl)-N-(3-methylbutyl)-2-(3-nitrophenyl)pyrazole-3-carboxamide Openeye Name: 5-(4-fluorophenyl)-N-isopentyl-2-(3-nitrophenyl)pyrazole-3-carboxamide CAS Name: 5-(4-fluorophenyl)-N-(3-methylbutyl)-2-(3-nitrophenyl)-3-pyrazolecarboxamide IUPAC Name: 5-(4-fluorophenyl)-N-(3-methylbutyl)-2-(3-nitrophenyl)pyrazole-3-carboxamide Traditional Name: 5-(4-fluorophenyl)-N-isoamyl-2-(3-nitrophenyl)pyrazole-3-carboxamide Formula: C21H21FN4O3 MolecularWeight: 396.414843

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21FN4O3/c1-14(2)10-11-23-21(27)20-13-19(15-6-8-16(22)9-7-15)24-25(20)17-4-3-5-18(12-17)26(28)29/h3-9,12-14H,10-11H2,1-2H3,(H,23,27)