N-[(2S)-3-oxidanyl-1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl]quinoline-4-carboxamide

Systemtic Name: N-[(2S)-3-oxidanyl-1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl]quinoline-4-carboxamide Openeye Name: N-[(1S)-1-(hydroxymethyl)-2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]quinoline-4-carboxamide CAS Name: N-[(2S)-3-hydroxy-1-oxo-1-(4-phenyl-1-piperazinyl)propan-2-yl]-4-quinolinecarboxamide IUPAC Name: N-[(2S)-3-hydroxy-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]quinoline-4-carboxamide Traditional Name: N-[(1S)-2-keto-1-methylol-2-(4-phenylpiperazino)ethyl]cinchoninamide Formula: C23H24N4O3 MolecularWeight: 404.46166

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)C(CO)NC(=O)C3=CC=NC4=CC=CC=C34

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)[C@H](CO)NC(=O)C3=CC=NC4=CC=CC=C34

InChI

InChI=1S/C23H24N4O3/c28-16-21(25-22(29)19-10-11-24-20-9-5-4-8-18(19)20)23(30)27-14-12-26(13-15-27)17-6-2-1-3-7-17/h1-11,21,28H,12-16H2,(H,25,29)/t21-/m0/s1