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

Systemtic Name: N-[(2S)-3-oxidanyl-1-oxidanylidene-1-(quinolin-6-ylamino)propan-2-yl]quinoxaline-2-carboxamide Openeye Name: N-[(1S)-1-(hydroxymethyl)-2-oxo-2-(6-quinolylamino)ethyl]quinoxaline-2-carboxamide CAS Name: N-[(2S)-3-hydroxy-1-oxo-1-(6-quinolinylamino)propan-2-yl]-2-quinoxalinecarboxamide IUPAC Name: N-[(2S)-3-hydroxy-1-oxo-1-(quinolin-6-ylamino)propan-2-yl]quinoxaline-2-carboxamide Traditional Name: N-[(1S)-2-keto-1-methylol-2-(6-quinolylamino)ethyl]quinoxaline-2-carboxamide Formula: C21H17N5O3 MolecularWeight: 387.39138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17N5O3/c27-12-19(21(29)24-14-7-8-15-13(10-14)4-3-9-22-15)26-20(28)18-11-23-16-5-1-2-6-17(16)25-18/h1-11,19,27H,12H2,(H,24,29)(H,26,28)/t19-/m0/s1