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

Systemtic Name: 2-(4-chlorophenyl)-N-[(2S)-3-methylbutan-2-yl]-5-(4-nitrophenyl)pyrazole-3-carboxamide Openeye Name: 2-(4-chlorophenyl)-N-[(1S)-1,2-dimethylpropyl]-5-(4-nitrophenyl)pyrazole-3-carboxamide CAS Name: 2-(4-chlorophenyl)-N-[(2S)-3-methylbutan-2-yl]-5-(4-nitrophenyl)-3-pyrazolecarboxamide IUPAC Name: 2-(4-chlorophenyl)-N-[(2S)-3-methylbutan-2-yl]-5-(4-nitrophenyl)pyrazole-3-carboxamide Traditional Name: 2-(4-chlorophenyl)-N-[(1S)-1,2-dimethylpropyl]-5-(4-nitrophenyl)pyrazole-3-carboxamide Formula: C21H21ClN4O3 MolecularWeight: 412.86944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN4O3/c1-13(2)14(3)23-21(27)20-12-19(15-4-8-18(9-5-15)26(28)29)24-25(20)17-10-6-16(22)7-11-17/h4-14H,1-3H3,(H,23,27)/t14-/m0/s1