N-[(2S)-3-methylbutan-2-yl]-2-(4-nitrophenyl)-5-phenyl-pyrazole-3-carboxamide

Systemtic Name: N-[(2S)-3-methylbutan-2-yl]-2-(4-nitrophenyl)-5-phenyl-pyrazole-3-carboxamide Openeye Name: N-[(1S)-1,2-dimethylpropyl]-2-(4-nitrophenyl)-5-phenyl-pyrazole-3-carboxamide CAS Name: N-[(2S)-3-methylbutan-2-yl]-2-(4-nitrophenyl)-5-phenyl-3-pyrazolecarboxamide IUPAC Name: N-[(2S)-3-methylbutan-2-yl]-2-(4-nitrophenyl)-5-phenylpyrazole-3-carboxamide Traditional Name: N-[(1S)-1,2-dimethylpropyl]-2-(4-nitrophenyl)-5-phenyl-pyrazole-3-carboxamide Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](C(C)C)NC(=O)C1=CC(=NN1C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C21H22N4O3/c1-14(2)15(3)22-21(26)20-13-19(16-7-5-4-6-8-16)23-24(20)17-9-11-18(12-10-17)25(27)28/h4-15H,1-3H3,(H,22,26)/t15-/m0/s1