4-[[2-(2-oxidanylidenepropanoyl)-3,4-dihydro-1H-isoquinolin-6-yl]oxymethyl]benzenecarboximidamide

Systemtic Name: 4-[[2-(2-oxidanylidenepropanoyl)-3,4-dihydro-1H-isoquinolin-6-yl]oxymethyl]benzenecarboximidamide Openeye Name: 4-[[2-(2-oxopropanoyl)-3,4-dihydro-1H-isoquinolin-6-yl]oxymethyl]benzamidine CAS Name: 4-[[2-(1,2-dioxopropyl)-3,4-dihydro-1H-isoquinolin-6-yl]oxymethyl]benzenecarboximidamide IUPAC Name: 4-[[2-(2-oxopropanoyl)-3,4-dihydro-1H-isoquinolin-6-yl]oxymethyl]benzenecarboximidamide Traditional Name: 4-[(2-pyruvoyl-3,4-dihydro-1H-isoquinolin-6-yl)oxymethyl]benzamidine Formula: C20H21N3O3 MolecularWeight: 351.39904

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=O)N1CCC2=C(C1)C=CC(=C2)OCC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CC(=O)C(=O)N1CCC2=C(C1)C=CC(=C2)OCC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C20H21N3O3/c1-13(24)20(25)23-9-8-16-10-18(7-6-17(16)11-23)26-12-14-2-4-15(5-3-14)19(21)22/h2-7,10H,8-9,11-12H2,1H3,(H3,21,22)