N-[(2S)-3-oxidanyl-1-oxidanylidene-1-(quinolin-6-ylamino)propan-2-yl]quinoline-4-carboxamide

Systemtic Name: N-[(2S)-3-oxidanyl-1-oxidanylidene-1-(quinolin-6-ylamino)propan-2-yl]quinoline-4-carboxamide Openeye Name: N-[(1S)-1-(hydroxymethyl)-2-oxo-2-(6-quinolylamino)ethyl]quinoline-4-carboxamide CAS Name: N-[(2S)-3-hydroxy-1-oxo-1-(6-quinolinylamino)propan-2-yl]-4-quinolinecarboxamide IUPAC Name: N-[(2S)-3-hydroxy-1-oxo-1-(quinolin-6-ylamino)propan-2-yl]quinoline-4-carboxamide Traditional Name: N-[(1S)-2-keto-1-methylol-2-(6-quinolylamino)ethyl]cinchoninamide Formula: C22H18N4O3 MolecularWeight: 386.40332

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC=N2)C(=O)NC(CO)C(=O)NC3=CC4=C(C=C3)N=CC=C4

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC=N2)C(=O)N[C@@H](CO)C(=O)NC3=CC4=C(C=C3)N=CC=C4

InChI

InChI=1S/C22H18N4O3/c27-13-20(22(29)25-15-7-8-18-14(12-15)4-3-10-23-18)26-21(28)17-9-11-24-19-6-2-1-5-16(17)19/h1-12,20,27H,13H2,(H,25,29)(H,26,28)/t20-/m0/s1