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

Systemtic Name: N-[(2S)-butan-2-yl]-2-(3-methylphenyl)-5-(4-nitrophenyl)pyrazole-3-carboxamide Openeye Name: N-[(1S)-1-methylpropyl]-2-(m-tolyl)-5-(4-nitrophenyl)pyrazole-3-carboxamide CAS Name: N-[(2S)-butan-2-yl]-2-(3-methylphenyl)-5-(4-nitrophenyl)-3-pyrazolecarboxamide IUPAC Name: N-[(2S)-butan-2-yl]-2-(3-methylphenyl)-5-(4-nitrophenyl)pyrazole-3-carboxamide Traditional Name: N-[(1S)-1-methylpropyl]-2-(m-tolyl)-5-(4-nitrophenyl)pyrazole-3-carboxamide Formula: C21H22N4O3 MolecularWeight: 378.42438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O3/c1-4-15(3)22-21(26)20-13-19(16-8-10-17(11-9-16)25(27)28)23-24(20)18-7-5-6-14(2)12-18/h5-13,15H,4H2,1-3H3,(H,22,26)/t15-/m0/s1