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

Systemtic Name: N-[(2S)-1-(cyclooctylamino)-3-oxidanyl-1-oxidanylidene-propan-2-yl]quinoline-4-carboxamide Openeye Name: N-[(1S)-2-(cyclooctylamino)-1-(hydroxymethyl)-2-oxo-ethyl]quinoline-4-carboxamide CAS Name: N-[(2S)-1-(cyclooctylamino)-3-hydroxy-1-oxopropan-2-yl]-4-quinolinecarboxamide IUPAC Name: N-[(2S)-1-(cyclooctylamino)-3-hydroxy-1-oxopropan-2-yl]quinoline-4-carboxamide Traditional Name: N-[(1S)-2-(cyclooctylamino)-2-keto-1-methylol-ethyl]cinchoninamide Formula: C21H27N3O3 MolecularWeight: 369.45738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)NC(=O)C(CO)NC(=O)C2=CC=NC3=CC=CC=C23

Isomeric SMILES

C1CCCC(CCC1)NC(=O)[C@H](CO)NC(=O)C2=CC=NC3=CC=CC=C23

InChI

InChI=1S/C21H27N3O3/c25-14-19(21(27)23-15-8-4-2-1-3-5-9-15)24-20(26)17-12-13-22-18-11-7-6-10-16(17)18/h6-7,10-13,15,19,25H,1-5,8-9,14H2,(H,23,27)(H,24,26)/t19-/m0/s1