7-butoxy-1-chloranyl-N-(2-hydroxyethyl)-4-oxidanyl-isoquinoline-3-carboxamide

Systemtic Name: 7-butoxy-1-chloranyl-N-(2-hydroxyethyl)-4-oxidanyl-isoquinoline-3-carboxamide Openeye Name: 7-butoxy-1-chloro-4-hydroxy-N-(2-hydroxyethyl)isoquinoline-3-carboxamide CAS Name: 7-butoxy-1-chloro-4-hydroxy-N-(2-hydroxyethyl)-3-isoquinolinecarboxamide IUPAC Name: 7-butoxy-1-chloro-4-hydroxy-N-(2-hydroxyethyl)isoquinoline-3-carboxamide Traditional Name: 7-butoxy-1-chloro-4-hydroxy-N-(2-hydroxyethyl)isoquinoline-3-carboxamide Formula: C16H19ClN2O4 MolecularWeight: 338.78606

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC2=C(C=C1)C(=C(N=C2Cl)C(=O)NCCO)O

Isomeric SMILES

CCCCOC1=CC2=C(C=C1)C(=C(N=C2Cl)C(=O)NCCO)O

InChI

InChI=1S/C16H19ClN2O4/c1-2-3-8-23-10-4-5-11-12(9-10)15(17)19-13(14(11)21)16(22)18-6-7-20/h4-5,9,20-21H,2-3,6-8H2,1H3,(H,18,22)