5-(2-chlorophenyl)-2-(3-nitrophenyl)-N-pentyl-pyrazole-3-carboxamide

Systemtic Name: 5-(2-chlorophenyl)-2-(3-nitrophenyl)-N-pentyl-pyrazole-3-carboxamide Openeye Name: 5-(2-chlorophenyl)-2-(3-nitrophenyl)-N-pentyl-pyrazole-3-carboxamide CAS Name: 5-(2-chlorophenyl)-2-(3-nitrophenyl)-N-pentyl-3-pyrazolecarboxamide IUPAC Name: 5-(2-chlorophenyl)-2-(3-nitrophenyl)-N-pentylpyrazole-3-carboxamide Traditional Name: N-amyl-5-(2-chlorophenyl)-2-(3-nitrophenyl)pyrazole-3-carboxamide Formula: C21H21ClN4O3 MolecularWeight: 412.86944

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)C1=CC(=NN1C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=C3Cl

Isomeric SMILES

CCCCCNC(=O)C1=CC(=NN1C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=C3Cl

InChI

InChI=1S/C21H21ClN4O3/c1-2-3-6-12-23-21(27)20-14-19(17-10-4-5-11-18(17)22)24-25(20)15-8-7-9-16(13-15)26(28)29/h4-5,7-11,13-14H,2-3,6,12H2,1H3,(H,23,27)