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

Systemtic Name: N-[(2S)-1-[(3-iodanylphenyl)methylamino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]quinoline-4-carboxamide Openeye Name: N-[(1S)-1-(hydroxymethyl)-2-[(3-iodophenyl)methylamino]-2-oxo-ethyl]quinoline-4-carboxamide CAS Name: N-[(2S)-3-hydroxy-1-[(3-iodophenyl)methylamino]-1-oxopropan-2-yl]-4-quinolinecarboxamide IUPAC Name: N-[(2S)-3-hydroxy-1-[(3-iodophenyl)methylamino]-1-oxopropan-2-yl]quinoline-4-carboxamide Traditional Name: N-[(1S)-2-[(3-iodobenzyl)amino]-2-keto-1-methylol-ethyl]cinchoninamide Formula: C20H18IN3O3 MolecularWeight: 475.27969

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC=N2)C(=O)NC(CO)C(=O)NCC3=CC(=CC=C3)I

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC=N2)C(=O)N[C@@H](CO)C(=O)NCC3=CC(=CC=C3)I

InChI

InChI=1S/C20H18IN3O3/c21-14-5-3-4-13(10-14)11-23-20(27)18(12-25)24-19(26)16-8-9-22-17-7-2-1-6-15(16)17/h1-10,18,25H,11-12H2,(H,23,27)(H,24,26)/t18-/m0/s1