N-[(2S)-butan-2-yl]-2-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]ethanamide

Systemtic Name: N-[(2S)-butan-2-yl]-2-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]ethanamide Openeye Name: N-[(1S)-1-methylpropyl]-2-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]acetamide CAS Name: N-[(2S)-butan-2-yl]-2-[3-(4-nitrophenyl)-1-phenyl-4-pyrazolyl]acetamide IUPAC Name: N-[(2S)-butan-2-yl]-2-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]acetamide Traditional Name: N-[(1S)-1-methylpropyl]-2-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]acetamide Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)CC1=CN(N=C1C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CC[C@H](C)NC(=O)CC1=CN(N=C1C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C21H22N4O3/c1-3-15(2)22-20(26)13-17-14-24(18-7-5-4-6-8-18)23-21(17)16-9-11-19(12-10-16)25(27)28/h4-12,14-15H,3,13H2,1-2H3,(H,22,26)/t15-/m0/s1