3-chloranyl-4-methoxy-N-[1-oxidanylidene-2-(1-oxidanylpropan-2-yl)isoquinolin-5-yl]benzamide

Systemtic Name: 3-chloranyl-4-methoxy-N-[1-oxidanylidene-2-(1-oxidanylpropan-2-yl)isoquinolin-5-yl]benzamide Openeye Name: 3-chloro-N-[2-(2-hydroxy-1-methyl-ethyl)-1-oxo-5-isoquinolyl]-4-methoxy-benzamide CAS Name: 3-chloro-N-[2-(1-hydroxypropan-2-yl)-1-oxo-5-isoquinolinyl]-4-methoxybenzamide IUPAC Name: 3-chloro-N-[2-(1-hydroxypropan-2-yl)-1-oxoisoquinolin-5-yl]-4-methoxybenzamide Traditional Name: 3-chloro-N-[2-(2-hydroxy-1-methyl-ethyl)-1-keto-5-isoquinolyl]-4-methoxy-benzamide Formula: C20H19ClN2O4 MolecularWeight: 386.82886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19ClN2O4/c1-12(11-24)23-9-8-14-15(20(23)26)4-3-5-17(14)22-19(25)13-6-7-18(27-2)16(21)10-13/h3-10,12,24H,11H2,1-2H3,(H,22,25)