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

Systemtic Name: N-[(2S)-3-oxidanyl-1-oxidanylidene-1-(quinolin-6-ylamino)propan-2-yl]-1H-indole-2-carboxamide Openeye Name: N-[(1S)-1-(hydroxymethyl)-2-oxo-2-(6-quinolylamino)ethyl]-1H-indole-2-carboxamide CAS Name: N-[(2S)-3-hydroxy-1-oxo-1-(6-quinolinylamino)propan-2-yl]-1H-indole-2-carboxamide IUPAC Name: N-[(2S)-3-hydroxy-1-oxo-1-(quinolin-6-ylamino)propan-2-yl]-1H-indole-2-carboxamide Traditional Name: N-[(1S)-2-keto-1-methylol-2-(6-quinolylamino)ethyl]-1H-indole-2-carboxamide Formula: C21H18N4O3 MolecularWeight: 374.39262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N4O3/c26-12-19(25-20(27)18-11-14-4-1-2-6-17(14)24-18)21(28)23-15-7-8-16-13(10-15)5-3-9-22-16/h1-11,19,24,26H,12H2,(H,23,28)(H,25,27)/t19-/m0/s1