N-[(4-chlorophenyl)methyl]-4-oxidanyl-6-(3-oxidanylprop-1-ynyl)isoquinoline-3-carboxamide

Systemtic Name: N-[(4-chlorophenyl)methyl]-4-oxidanyl-6-(3-oxidanylprop-1-ynyl)isoquinoline-3-carboxamide Openeye Name: N-[(4-chlorophenyl)methyl]-4-hydroxy-6-(3-hydroxyprop-1-ynyl)isoquinoline-3-carboxamide CAS Name: N-[(4-chlorophenyl)methyl]-4-hydroxy-6-(3-hydroxyprop-1-ynyl)-3-isoquinolinecarboxamide IUPAC Name: N-[(4-chlorophenyl)methyl]-4-hydroxy-6-(3-hydroxyprop-1-ynyl)isoquinoline-3-carboxamide Traditional Name: N-(4-chlorobenzyl)-4-hydroxy-6-(3-hydroxyprop-1-ynyl)isoquinoline-3-carboxamide Formula: C20H15ClN2O3 MolecularWeight: 366.7977

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=O)C2=NC=C3C=CC(=CC3=C2O)C#CCO)Cl

Isomeric SMILES

C1=CC(=CC=C1CNC(=O)C2=NC=C3C=CC(=CC3=C2O)C#CCO)Cl

InChI

InChI=1S/C20H15ClN2O3/c21-16-7-4-14(5-8-16)11-23-20(26)18-19(25)17-10-13(2-1-9-24)3-6-15(17)12-22-18/h3-8,10,12,24-25H,9,11H2,(H,23,26)