4-[3-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-ethyl-amino]propanoylamino]benzamide

Systemtic Name: 4-[3-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-ethyl-amino]propanoylamino]benzamide Openeye Name: 4-[3-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-ethyl-amino]propanoylamino]benzamide CAS Name: 4-[[3-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-ethylamino]-1-oxopropyl]amino]benzamide IUPAC Name: 4-[3-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-ethylamino]propanoylamino]benzamide Traditional Name: 4-[3-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]-ethyl-amino]propanoylamino]benzamide Formula: C23H28N4O3 MolecularWeight: 408.49342

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCC(=O)NC1=CC=C(C=C1)C(=O)N)CC(=O)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CCN(CCC(=O)NC1=CC=C(C=C1)C(=O)N)CC(=O)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C23H28N4O3/c1-2-26(13-12-21(28)25-20-9-7-18(8-10-20)23(24)30)16-22(29)27-14-11-17-5-3-4-6-19(17)15-27/h3-10H,2,11-16H2,1H3,(H2,24,30)(H,25,28)