N-[(2S)-3-oxidanyl-1-oxidanylidene-1-[(5-phenyl-1H-pyrazol-3-yl)amino]propan-2-yl]quinoline-4-carboxamide

Systemtic Name: N-[(2S)-3-oxidanyl-1-oxidanylidene-1-[(5-phenyl-1H-pyrazol-3-yl)amino]propan-2-yl]quinoline-4-carboxamide Openeye Name: N-[(1S)-1-(hydroxymethyl)-2-oxo-2-[(5-phenyl-1H-pyrazol-3-yl)amino]ethyl]quinoline-4-carboxamide CAS Name: N-[(2S)-3-hydroxy-1-oxo-1-[(5-phenyl-1H-pyrazol-3-yl)amino]propan-2-yl]-4-quinolinecarboxamide IUPAC Name: N-[(2S)-3-hydroxy-1-oxo-1-[(5-phenyl-1H-pyrazol-3-yl)amino]propan-2-yl]quinoline-4-carboxamide Traditional Name: N-[(1S)-2-keto-1-methylol-2-[(5-phenyl-1H-pyrazol-3-yl)amino]ethyl]cinchoninamide Formula: C22H19N5O3 MolecularWeight: 401.41796

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NN2)NC(=O)C(CO)NC(=O)C3=CC=NC4=CC=CC=C34

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NN2)NC(=O)[C@H](CO)NC(=O)C3=CC=NC4=CC=CC=C34

InChI

InChI=1S/C22H19N5O3/c28-13-19(24-21(29)16-10-11-23-17-9-5-4-8-15(16)17)22(30)25-20-12-18(26-27-20)14-6-2-1-3-7-14/h1-12,19,28H,13H2,(H,24,29)(H2,25,26,27,30)/t19-/m0/s1