N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)quinoxaline-2-carboxamide

Systemtic Name: N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)quinoxaline-2-carboxamide Openeye Name: N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)quinoxaline-2-carboxamide CAS Name: N-[2-(1-oxopropyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-quinoxalinecarboxamide IUPAC Name: N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)quinoxaline-2-carboxamide Traditional Name: N-(2-propionyl-3,4-dihydro-1H-isoquinolin-7-yl)quinoxaline-2-carboxamide Formula: C21H20N4O2 MolecularWeight: 360.4091

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)C3=NC4=CC=CC=C4N=C3

Isomeric SMILES

CCC(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)C3=NC4=CC=CC=C4N=C3

InChI

InChI=1S/C21H20N4O2/c1-2-20(26)25-10-9-14-7-8-16(11-15(14)13-25)23-21(27)19-12-22-17-5-3-4-6-18(17)24-19/h3-8,11-12H,2,9-10,13H2,1H3,(H,23,27)