4-chloranyl-2-(3-methylbutyl)-1-oxidanylidene-N-(5-oxidanylpyridin-2-yl)isoquinoline-3-carboxamide

Systemtic Name: 4-chloranyl-2-(3-methylbutyl)-1-oxidanylidene-N-(5-oxidanylpyridin-2-yl)isoquinoline-3-carboxamide Openeye Name: 4-chloro-N-(5-hydroxy-2-pyridyl)-2-isopentyl-1-oxo-isoquinoline-3-carboxamide CAS Name: 4-chloro-N-(5-hydroxy-2-pyridinyl)-2-(3-methylbutyl)-1-oxo-3-isoquinolinecarboxamide IUPAC Name: 4-chloro-N-(5-hydroxypyridin-2-yl)-2-(3-methylbutyl)-1-oxoisoquinoline-3-carboxamide Traditional Name: 4-chloro-N-(5-hydroxy-2-pyridyl)-2-isoamyl-1-keto-isoquinoline-3-carboxamide Formula: C20H20ClN3O3 MolecularWeight: 385.8441

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=C(C2=CC=CC=C2C1=O)Cl)C(=O)NC3=NC=C(C=C3)O

Isomeric SMILES

CC(C)CCN1C(=C(C2=CC=CC=C2C1=O)Cl)C(=O)NC3=NC=C(C=C3)O

InChI

InChI=1S/C20H20ClN3O3/c1-12(2)9-10-24-18(19(26)23-16-8-7-13(25)11-22-16)17(21)14-5-3-4-6-15(14)20(24)27/h3-8,11-12,25H,9-10H2,1-2H3,(H,22,23,26)