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

Systemtic Name: N-[(2S)-1-[4-(4-ethanoylphenyl)piperazin-1-yl]-3-oxidanyl-1-oxidanylidene-propan-2-yl]quinoline-4-carboxamide Openeye Name: N-[(1S)-2-[4-(4-acetylphenyl)piperazin-1-yl]-1-(hydroxymethyl)-2-oxo-ethyl]quinoline-4-carboxamide CAS Name: N-[(2S)-1-[4-(4-acetylphenyl)-1-piperazinyl]-3-hydroxy-1-oxopropan-2-yl]-4-quinolinecarboxamide IUPAC Name: N-[(2S)-1-[4-(4-acetylphenyl)piperazin-1-yl]-3-hydroxy-1-oxopropan-2-yl]quinoline-4-carboxamide Traditional Name: N-[(1S)-2-[4-(4-acetylphenyl)piperazino]-2-keto-1-methylol-ethyl]cinchoninamide Formula: C25H26N4O4 MolecularWeight: 446.49834

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)C(CO)NC(=O)C3=CC=NC4=CC=CC=C34

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)[C@H](CO)NC(=O)C3=CC=NC4=CC=CC=C34

InChI

InChI=1S/C25H26N4O4/c1-17(31)18-6-8-19(9-7-18)28-12-14-29(15-13-28)25(33)23(16-30)27-24(32)21-10-11-26-22-5-3-2-4-20(21)22/h2-11,23,30H,12-16H2,1H3,(H,27,32)/t23-/m0/s1