N-(2-azanyl-2-oxidanylidene-ethyl)-3-[2-(2-ethanoyl-1H-isoquinolin-1-yl)ethanoylamino]benzamide

Systemtic Name: N-(2-azanyl-2-oxidanylidene-ethyl)-3-[2-(2-ethanoyl-1H-isoquinolin-1-yl)ethanoylamino]benzamide Openeye Name: 3-[[2-(2-acetyl-1H-isoquinolin-1-yl)acetyl]amino]-N-(2-amino-2-oxo-ethyl)benzamide CAS Name: 3-[[2-(2-acetyl-1H-isoquinolin-1-yl)-1-oxoethyl]amino]-N-(2-amino-2-oxoethyl)benzamide IUPAC Name: 3-[[2-(2-acetyl-1H-isoquinolin-1-yl)acetyl]amino]-N-(2-amino-2-oxoethyl)benzamide Traditional Name: 3-[[2-(2-acetyl-1H-isoquinolin-1-yl)acetyl]amino]-N-(2-amino-2-keto-ethyl)benzamide Formula: C22H22N4O4 MolecularWeight: 406.43448

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)NC3=CC=CC(=C3)C(=O)NCC(=O)N

Isomeric SMILES

CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)NC3=CC=CC(=C3)C(=O)NCC(=O)N

InChI

InChI=1S/C22H22N4O4/c1-14(27)26-10-9-15-5-2-3-8-18(15)19(26)12-21(29)25-17-7-4-6-16(11-17)22(30)24-13-20(23)28/h2-11,19H,12-13H2,1H3,(H2,23,28)(H,24,30)(H,25,29)