N-[(4-chlorophenyl)methyl]-5-oxidanyl-3-(3-oxidanylprop-1-ynyl)isoquinoline-6-carboxamide

Systemtic Name: N-[(4-chlorophenyl)methyl]-5-oxidanyl-3-(3-oxidanylprop-1-ynyl)isoquinoline-6-carboxamide Openeye Name: N-[(4-chlorophenyl)methyl]-5-hydroxy-3-(3-hydroxyprop-1-ynyl)isoquinoline-6-carboxamide CAS Name: N-[(4-chlorophenyl)methyl]-5-hydroxy-3-(3-hydroxyprop-1-ynyl)-6-isoquinolinecarboxamide IUPAC Name: N-[(4-chlorophenyl)methyl]-5-hydroxy-3-(3-hydroxyprop-1-ynyl)isoquinoline-6-carboxamide Traditional Name: N-(4-chlorobenzyl)-5-hydroxy-3-(3-hydroxyprop-1-ynyl)isoquinoline-6-carboxamide Formula: C20H15ClN2O3 MolecularWeight: 366.7977

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=O)C2=C(C3=C(C=C2)C=NC(=C3)C#CCO)O)Cl

Isomeric SMILES

C1=CC(=CC=C1CNC(=O)C2=C(C3=C(C=C2)C=NC(=C3)C#CCO)O)Cl

InChI

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