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

Systemtic Name: N-[(2S)-1-[methyl-(phenylmethyl)amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]quinoline-4-carboxamide Openeye Name: N-[(1S)-2-[benzyl(methyl)amino]-1-(hydroxymethyl)-2-oxo-ethyl]quinoline-4-carboxamide CAS Name: N-[(2S)-3-hydroxy-1-[methyl-(phenylmethyl)amino]-1-oxopropan-2-yl]-4-quinolinecarboxamide IUPAC Name: N-[(2S)-1-[benzyl(methyl)amino]-3-hydroxy-1-oxopropan-2-yl]quinoline-4-carboxamide Traditional Name: N-[(1S)-2-[benzyl(methyl)amino]-2-keto-1-methylol-ethyl]cinchoninamide Formula: C21H21N3O3 MolecularWeight: 363.40974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C(=O)C(CO)NC(=O)C2=CC=NC3=CC=CC=C23

Isomeric SMILES

CN(CC1=CC=CC=C1)C(=O)[C@H](CO)NC(=O)C2=CC=NC3=CC=CC=C23

InChI

InChI=1S/C21H21N3O3/c1-24(13-15-7-3-2-4-8-15)21(27)19(14-25)23-20(26)17-11-12-22-18-10-6-5-9-16(17)18/h2-12,19,25H,13-14H2,1H3,(H,23,26)/t19-/m0/s1