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

Systemtic Name: N-[(2S)-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxidanyl-1-oxidanylidene-propan-2-yl]quinoline-4-carboxamide Openeye Name: N-[(1S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(hydroxymethyl)-2-oxo-ethyl]quinoline-4-carboxamide CAS Name: N-[(2S)-1-[4-(4-fluorophenyl)-1-piperazinyl]-3-hydroxy-1-oxopropan-2-yl]-4-quinolinecarboxamide IUPAC Name: N-[(2S)-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-hydroxy-1-oxopropan-2-yl]quinoline-4-carboxamide Traditional Name: N-[(1S)-2-[4-(4-fluorophenyl)piperazino]-2-keto-1-methylol-ethyl]cinchoninamide Formula: C23H23FN4O3 MolecularWeight: 422.452123

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23FN4O3/c24-16-5-7-17(8-6-16)27-11-13-28(14-12-27)23(31)21(15-29)26-22(30)19-9-10-25-20-4-2-1-3-18(19)20/h1-10,21,29H,11-15H2,(H,26,30)/t21-/m0/s1