2-isoquinolin-5-yl-3-prop-1-ynyl-phenol

Systemtic Name: 2-isoquinolin-5-yl-3-prop-1-ynyl-phenol Openeye Name: 2-(5-isoquinolyl)-3-prop-1-ynyl-phenol CAS Name: 2-(5-isoquinolinyl)-3-prop-1-ynylphenol IUPAC Name: 2-isoquinolin-5-yl-3-prop-1-ynylphenol Traditional Name: 2-(5-isoquinolyl)-3-prop-1-ynyl-phenol Formula: C18H13NO MolecularWeight: 259.30192

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC1=C(C(=CC=C1)O)C2=CC=CC3=C2C=CN=C3

Isomeric SMILES

CC#CC1=C(C(=CC=C1)O)C2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C18H13NO/c1-2-5-13-6-4-9-17(20)18(13)16-8-3-7-14-12-19-11-10-15(14)16/h3-4,6-12,20H,1H3