(2S)-N-ethyl-2-[2-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]ethanoylamino]propanamide

Systemtic Name: (2S)-N-ethyl-2-[2-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]ethanoylamino]propanamide Openeye Name: (2S)-N-ethyl-2-[[2-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]acetyl]amino]propanamide CAS Name: (2S)-N-ethyl-2-[[2-[3-(4-nitrophenyl)-1-phenyl-4-pyrazolyl]-1-oxoethyl]amino]propanamide IUPAC Name: (2S)-N-ethyl-2-[[2-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]acetyl]amino]propanamide Traditional Name: (2S)-N-ethyl-2-[[2-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]acetyl]amino]propionamide Formula: C22H23N5O4 MolecularWeight: 421.44912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N5O4/c1-3-23-22(29)15(2)24-20(28)13-17-14-26(18-7-5-4-6-8-18)25-21(17)16-9-11-19(12-10-16)27(30)31/h4-12,14-15H,3,13H2,1-2H3,(H,23,29)(H,24,28)/t15-/m0/s1