N-[(2S)-butan-2-yl]-2-(2,4-dimethylphenyl)-5-(4-nitrophenyl)pyrazole-3-carboxamide

Systemtic Name: N-[(2S)-butan-2-yl]-2-(2,4-dimethylphenyl)-5-(4-nitrophenyl)pyrazole-3-carboxamide Openeye Name: 2-(2,4-dimethylphenyl)-N-[(1S)-1-methylpropyl]-5-(4-nitrophenyl)pyrazole-3-carboxamide CAS Name: N-[(2S)-butan-2-yl]-2-(2,4-dimethylphenyl)-5-(4-nitrophenyl)-3-pyrazolecarboxamide IUPAC Name: N-[(2S)-butan-2-yl]-2-(2,4-dimethylphenyl)-5-(4-nitrophenyl)pyrazole-3-carboxamide Traditional Name: 2-(2,4-dimethylphenyl)-N-[(1S)-1-methylpropyl]-5-(4-nitrophenyl)pyrazole-3-carboxamide Formula: C22H24N4O3 MolecularWeight: 392.45096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O3/c1-5-16(4)23-22(27)21-13-19(17-7-9-18(10-8-17)26(28)29)24-25(21)20-11-6-14(2)12-15(20)3/h6-13,16H,5H2,1-4H3,(H,23,27)/t16-/m0/s1