N-[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxidanyl-1-oxidanylidene-propan-2-yl]quinoxaline-2-carboxamide

Systemtic Name: N-[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxidanyl-1-oxidanylidene-propan-2-yl]quinoxaline-2-carboxamide Openeye Name: N-[(1S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(hydroxymethyl)-2-oxo-ethyl]quinoxaline-2-carboxamide CAS Name: N-[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-hydroxy-1-oxopropan-2-yl]-2-quinoxalinecarboxamide IUPAC Name: N-[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-hydroxy-1-oxopropan-2-yl]quinoxaline-2-carboxamide Traditional Name: N-[(1S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-1-methylol-ethyl]quinoxaline-2-carboxamide Formula: C21H20N4O3 MolecularWeight: 376.4085

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)C(CO)NC(=O)C3=NC4=CC=CC=C4N=C3

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)[C@H](CO)NC(=O)C3=NC4=CC=CC=C4N=C3

InChI

InChI=1S/C21H20N4O3/c26-13-19(21(28)25-10-9-14-5-1-2-6-15(14)12-25)24-20(27)18-11-22-16-7-3-4-8-17(16)23-18/h1-8,11,19,26H,9-10,12-13H2,(H,24,27)/t19-/m0/s1