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

Systemtic Name: N-[(2S)-butan-2-yl]-5-(3,4-dimethylphenyl)-2-(3-nitrophenyl)pyrazole-3-carboxamide Openeye Name: 5-(3,4-dimethylphenyl)-N-[(1S)-1-methylpropyl]-2-(3-nitrophenyl)pyrazole-3-carboxamide CAS Name: N-[(2S)-butan-2-yl]-5-(3,4-dimethylphenyl)-2-(3-nitrophenyl)-3-pyrazolecarboxamide IUPAC Name: N-[(2S)-butan-2-yl]-5-(3,4-dimethylphenyl)-2-(3-nitrophenyl)pyrazole-3-carboxamide Traditional Name: 5-(3,4-dimethylphenyl)-N-[(1S)-1-methylpropyl]-2-(3-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=CC(=CC=C2)[N+](=O)[O-])C3=CC(=C(C=C3)C)C

Isomeric SMILES

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

InChI

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