N-(3-methylbutyl)-5-(5-methylfuran-2-yl)-2-(3-nitrophenyl)pyrazole-3-carboxamide

Systemtic Name: N-(3-methylbutyl)-5-(5-methylfuran-2-yl)-2-(3-nitrophenyl)pyrazole-3-carboxamide Openeye Name: N-isopentyl-5-(5-methyl-2-furyl)-2-(3-nitrophenyl)pyrazole-3-carboxamide CAS Name: N-(3-methylbutyl)-5-(5-methyl-2-furanyl)-2-(3-nitrophenyl)-3-pyrazolecarboxamide IUPAC Name: N-(3-methylbutyl)-5-(5-methylfuran-2-yl)-2-(3-nitrophenyl)pyrazole-3-carboxamide Traditional Name: N-isoamyl-5-(5-methyl-2-furyl)-2-(3-nitrophenyl)pyrazole-3-carboxamide Formula: C20H22N4O4 MolecularWeight: 382.41308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C2=NN(C(=C2)C(=O)NCCC(C)C)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(O1)C2=NN(C(=C2)C(=O)NCCC(C)C)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O4/c1-13(2)9-10-21-20(25)18-12-17(19-8-7-14(3)28-19)22-23(18)15-5-4-6-16(11-15)24(26)27/h4-8,11-13H,9-10H2,1-3H3,(H,21,25)