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

Systemtic Name: N-(3-methylbutyl)-5-(1-methylpyrrol-2-yl)-2-(3-nitrophenyl)pyrazole-3-carboxamide Openeye Name: N-isopentyl-5-(1-methylpyrrol-2-yl)-2-(3-nitrophenyl)pyrazole-3-carboxamide CAS Name: N-(3-methylbutyl)-5-(1-methyl-2-pyrrolyl)-2-(3-nitrophenyl)-3-pyrazolecarboxamide IUPAC Name: N-(3-methylbutyl)-5-(1-methylpyrrol-2-yl)-2-(3-nitrophenyl)pyrazole-3-carboxamide Traditional Name: N-isoamyl-5-(1-methylpyrrol-2-yl)-2-(3-nitrophenyl)pyrazole-3-carboxamide Formula: C20H23N5O3 MolecularWeight: 381.42832

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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=CN3C

Isomeric SMILES

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

InChI

InChI=1S/C20H23N5O3/c1-14(2)9-10-21-20(26)19-13-17(18-8-5-11-23(18)3)22-24(19)15-6-4-7-16(12-15)25(27)28/h4-8,11-14H,9-10H2,1-3H3,(H,21,26)