2-(1-ethylpyrazol-4-yl)-N-[1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]quinoline-4-carboxamide

Systemtic Name: 2-(1-ethylpyrazol-4-yl)-N-[1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]quinoline-4-carboxamide Openeye Name: 2-(1-ethylpyrazol-4-yl)-N-[2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]quinoline-4-carboxamide CAS Name: N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-2-(1-ethyl-4-pyrazolyl)-4-quinolinecarboxamide IUPAC Name: N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide Traditional Name: 2-(1-ethylpyrazol-4-yl)-N-[2-hydroxy-1-methylol-2-(4-nitrophenyl)ethyl]cinchoninamide Formula: C24H23N5O5 MolecularWeight: 461.46992

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC(CO)C(C4=CC=C(C=C4)[N+](=O)[O-])O

Isomeric SMILES

CCN1C=C(C=N1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC(CO)C(C4=CC=C(C=C4)[N+](=O)[O-])O

InChI

InChI=1S/C24H23N5O5/c1-2-28-13-16(12-25-28)21-11-19(18-5-3-4-6-20(18)26-21)24(32)27-22(14-30)23(31)15-7-9-17(10-8-15)29(33)34/h3-13,22-23,30-31H,2,14H2,1H3,(H,27,32)