N-butyl-2-(3-methylphenyl)-5-(4-nitrophenyl)pyrazole-3-carboxamide

Systemtic Name: N-butyl-2-(3-methylphenyl)-5-(4-nitrophenyl)pyrazole-3-carboxamide Openeye Name: N-butyl-2-(m-tolyl)-5-(4-nitrophenyl)pyrazole-3-carboxamide CAS Name: N-butyl-2-(3-methylphenyl)-5-(4-nitrophenyl)-3-pyrazolecarboxamide IUPAC Name: N-butyl-2-(3-methylphenyl)-5-(4-nitrophenyl)pyrazole-3-carboxamide Traditional Name: N-butyl-2-(m-tolyl)-5-(4-nitrophenyl)pyrazole-3-carboxamide Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O3/c1-3-4-12-22-21(26)20-14-19(16-8-10-17(11-9-16)25(27)28)23-24(20)18-7-5-6-15(2)13-18/h5-11,13-14H,3-4,12H2,1-2H3,(H,22,26)