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

Systemtic Name: dimethyl-[(1S)-2-[2-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]ethanoylamino]-1-phenyl-ethyl]azanium Openeye Name: dimethyl-[(1S)-2-[[2-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]acetyl]amino]-1-phenyl-ethyl]ammonium CAS Name: dimethyl-[(1S)-2-[[2-[3-(4-nitrophenyl)-1-phenyl-4-pyrazolyl]-1-oxoethyl]amino]-1-phenylethyl]ammonium IUPAC Name: dimethyl-[(1S)-2-[[2-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]acetyl]amino]-1-phenylethyl]azanium Traditional Name: dimethyl-[(1S)-2-[[2-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]acetyl]amino]-1-phenyl-ethyl]ammonium Formula: C27H28N5O3+ MolecularWeight: 470.54292

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=O)CC1=CN(N=C1C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C[NH+](C)[C@H](CNC(=O)CC1=CN(N=C1C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H27N5O3/c1-30(2)25(20-9-5-3-6-10-20)18-28-26(33)17-22-19-31(23-11-7-4-8-12-23)29-27(22)21-13-15-24(16-14-21)32(34)35/h3-16,19,25H,17-18H2,1-2H3,(H,28,33)/p+1/t25-/m1/s1