N-hexyl-5-(1-methylpyrrol-2-yl)-2-(3-nitrophenyl)pyrazole-3-carboxamide

Systemtic Name: N-hexyl-5-(1-methylpyrrol-2-yl)-2-(3-nitrophenyl)pyrazole-3-carboxamide Openeye Name: N-hexyl-5-(1-methylpyrrol-2-yl)-2-(3-nitrophenyl)pyrazole-3-carboxamide CAS Name: N-hexyl-5-(1-methyl-2-pyrrolyl)-2-(3-nitrophenyl)-3-pyrazolecarboxamide IUPAC Name: N-hexyl-5-(1-methylpyrrol-2-yl)-2-(3-nitrophenyl)pyrazole-3-carboxamide Traditional Name: N-hexyl-5-(1-methylpyrrol-2-yl)-2-(3-nitrophenyl)pyrazole-3-carboxamide Formula: C21H25N5O3 MolecularWeight: 395.4549

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)C1=CC(=NN1C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CN3C

Isomeric SMILES

CCCCCCNC(=O)C1=CC(=NN1C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CN3C

InChI

InChI=1S/C21H25N5O3/c1-3-4-5-6-12-22-21(27)20-15-18(19-11-8-13-24(19)2)23-25(20)16-9-7-10-17(14-16)26(28)29/h7-11,13-15H,3-6,12H2,1-2H3,(H,22,27)