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

Systemtic Name: N'-methyl-4-[[2-(2-oxidanylidenepropanoyl)-3,4-dihydro-1H-isoquinolin-6-yl]oxymethyl]benzenecarboximidamide Openeye Name: N'-methyl-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]-N'-methylbenzenecarboximidamide IUPAC Name: N'-methyl-4-[[2-(2-oxopropanoyl)-3,4-dihydro-1H-isoquinolin-6-yl]oxymethyl]benzenecarboximidamide Traditional Name: N'-methyl-4-[(2-pyruvoyl-3,4-dihydro-1H-isoquinolin-6-yl)oxymethyl]benzamidine Formula: C21H23N3O3 MolecularWeight: 365.42562

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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(=NC)N

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O3/c1-14(25)21(26)24-10-9-17-11-19(8-7-18(17)12-24)27-13-15-3-5-16(6-4-15)20(22)23-2/h3-8,11H,9-10,12-13H2,1-2H3,(H2,22,23)