1-[4-(isoquinolin-1-ylmethyl)phenyl]but-3-yne-1,2-diol

Systemtic Name: 1-[4-(isoquinolin-1-ylmethyl)phenyl]but-3-yne-1,2-diol Openeye Name: 1-[4-(1-isoquinolylmethyl)phenyl]but-3-yne-1,2-diol CAS Name: 1-[4-(1-isoquinolinylmethyl)phenyl]-3-butyne-1,2-diol IUPAC Name: 1-[4-(isoquinolin-1-ylmethyl)phenyl]but-3-yne-1,2-diol Traditional Name: 1-[4-(1-isoquinolylmethyl)phenyl]but-3-yne-1,2-diol Formula: C20H17NO2 MolecularWeight: 303.35448

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Descriptors Computed from Structure

Canonical SMILES:

C#CC(C(C1=CC=C(C=C1)CC2=NC=CC3=CC=CC=C32)O)O

Isomeric SMILES

C#CC(C(C1=CC=C(C=C1)CC2=NC=CC3=CC=CC=C32)O)O

InChI

InChI=1S/C20H17NO2/c1-2-19(22)20(23)16-9-7-14(8-10-16)13-18-17-6-4-3-5-15(17)11-12-21-18/h1,3-12,19-20,22-23H,13H2