2,5-bis(chloranyl)-N-[1-oxidanylidene-2-(1-oxidanylpropan-2-yl)isoquinolin-5-yl]benzamide

Systemtic Name: 2,5-bis(chloranyl)-N-[1-oxidanylidene-2-(1-oxidanylpropan-2-yl)isoquinolin-5-yl]benzamide Openeye Name: 2,5-dichloro-N-[2-(2-hydroxy-1-methyl-ethyl)-1-oxo-5-isoquinolyl]benzamide CAS Name: 2,5-dichloro-N-[2-(1-hydroxypropan-2-yl)-1-oxo-5-isoquinolinyl]benzamide IUPAC Name: 2,5-dichloro-N-[2-(1-hydroxypropan-2-yl)-1-oxoisoquinolin-5-yl]benzamide Traditional Name: 2,5-dichloro-N-[2-(2-hydroxy-1-methyl-ethyl)-1-keto-5-isoquinolyl]benzamide Formula: C19H16Cl2N2O3 MolecularWeight: 391.24794

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)N1C=CC2=C(C1=O)C=CC=C2NC(=O)C3=C(C=CC(=C3)Cl)Cl

Isomeric SMILES

CC(CO)N1C=CC2=C(C1=O)C=CC=C2NC(=O)C3=C(C=CC(=C3)Cl)Cl

InChI

InChI=1S/C19H16Cl2N2O3/c1-11(10-24)23-8-7-13-14(19(23)26)3-2-4-17(13)22-18(25)15-9-12(20)5-6-16(15)21/h2-9,11,24H,10H2,1H3,(H,22,25)