3-phenyl-1-(2-phenylethynyl)-2-prop-2-enyl-1H-isoquinoline

Systemtic Name: 3-phenyl-1-(2-phenylethynyl)-2-prop-2-enyl-1H-isoquinoline Openeye Name: 2-allyl-3-phenyl-1-(2-phenylethynyl)-1H-isoquinoline CAS Name: 3-phenyl-1-(2-phenylethynyl)-2-prop-2-enyl-1H-isoquinoline IUPAC Name: 3-phenyl-1-(2-phenylethynyl)-2-prop-2-enyl-1H-isoquinoline Traditional Name: 2-allyl-3-phenyl-1-(2-phenylethynyl)-1H-isoquinoline Formula: C26H21N MolecularWeight: 347.45164

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(C2=CC=CC=C2C=C1C3=CC=CC=C3)C#CC4=CC=CC=C4

Isomeric SMILES

C=CCN1C(C2=CC=CC=C2C=C1C3=CC=CC=C3)C#CC4=CC=CC=C4

InChI

InChI=1S/C26H21N/c1-2-19-27-25(18-17-21-11-5-3-6-12-21)24-16-10-9-15-23(24)20-26(27)22-13-7-4-8-14-22/h2-16,20,25H,1,19H2