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

Systemtic Name: N-[(2S)-1-(azepan-1-yl)-3-oxidanyl-1-oxidanylidene-propan-2-yl]quinoline-4-carboxamide Openeye Name: N-[(1S)-2-(azepan-1-yl)-1-(hydroxymethyl)-2-oxo-ethyl]quinoline-4-carboxamide CAS Name: N-[(2S)-1-(1-azepanyl)-3-hydroxy-1-oxopropan-2-yl]-4-quinolinecarboxamide IUPAC Name: N-[(2S)-1-(azepan-1-yl)-3-hydroxy-1-oxopropan-2-yl]quinoline-4-carboxamide Traditional Name: N-[(1S)-2-(azepan-1-yl)-2-keto-1-methylol-ethyl]cinchoninamide Formula: C19H23N3O3 MolecularWeight: 341.40422

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C(CO)NC(=O)C2=CC=NC3=CC=CC=C23

Isomeric SMILES

C1CCCN(CC1)C(=O)[C@H](CO)NC(=O)C2=CC=NC3=CC=CC=C23

InChI

InChI=1S/C19H23N3O3/c23-13-17(19(25)22-11-5-1-2-6-12-22)21-18(24)15-9-10-20-16-8-4-3-7-14(15)16/h3-4,7-10,17,23H,1-2,5-6,11-13H2,(H,21,24)/t17-/m0/s1