2-(1-ethyl-5-methyl-pyrazol-4-yl)-N-[1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]quinoline-4-carboxamide

Systemtic Name: 2-(1-ethyl-5-methyl-pyrazol-4-yl)-N-[1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]quinoline-4-carboxamide Openeye Name: 2-(1-ethyl-5-methyl-pyrazol-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-5-methyl-4-pyrazolyl)-4-quinolinecarboxamide IUPAC Name: N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-2-(1-ethyl-5-methylpyrazol-4-yl)quinoline-4-carboxamide Traditional Name: 2-(1-ethyl-5-methyl-pyrazol-4-yl)-N-[2-hydroxy-1-methylol-2-(4-nitrophenyl)ethyl]cinchoninamide Formula: C25H25N5O5 MolecularWeight: 475.4965

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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)C

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)C

InChI

InChI=1S/C25H25N5O5/c1-3-29-15(2)20(13-26-29)22-12-19(18-6-4-5-7-21(18)27-22)25(33)28-23(14-31)24(32)16-8-10-17(11-9-16)30(34)35/h4-13,23-24,31-32H,3,14H2,1-2H3,(H,28,33)