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

Systemtic Name: N-[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxidanyl-1-oxidanylidene-propan-2-yl]quinoline-4-carboxamide Openeye Name: N-[(1S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(hydroxymethyl)-2-oxo-ethyl]quinoline-4-carboxamide CAS Name: N-[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-hydroxy-1-oxopropan-2-yl]-4-quinolinecarboxamide IUPAC Name: N-[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-hydroxy-1-oxopropan-2-yl]quinoline-4-carboxamide Traditional Name: N-[(1S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-1-methylol-ethyl]cinchoninamide Formula: C22H21N3O3 MolecularWeight: 375.42044

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)C(CO)NC(=O)C3=CC=NC4=CC=CC=C34

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)[C@H](CO)NC(=O)C3=CC=NC4=CC=CC=C34

InChI

InChI=1S/C22H21N3O3/c26-14-20(22(28)25-12-10-15-5-1-2-6-16(15)13-25)24-21(27)18-9-11-23-19-8-4-3-7-17(18)19/h1-9,11,20,26H,10,12-14H2,(H,24,27)/t20-/m0/s1