4-(1-butoxyethenyl)-3-phenyl-isoquinoline

Systemtic Name: 4-(1-butoxyethenyl)-3-phenyl-isoquinoline Openeye Name: 4-(1-butoxyvinyl)-3-phenyl-isoquinoline CAS Name: 4-(1-butoxyethenyl)-3-phenylisoquinoline IUPAC Name: 4-(1-butoxyethenyl)-3-phenylisoquinoline Traditional Name: 4-(1-butoxyvinyl)-3-phenyl-isoquinoline Formula: C21H21NO MolecularWeight: 303.39754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=C)C1=C(N=CC2=CC=CC=C21)C3=CC=CC=C3

Isomeric SMILES

CCCCOC(=C)C1=C(N=CC2=CC=CC=C21)C3=CC=CC=C3

InChI

InChI=1S/C21H21NO/c1-3-4-14-23-16(2)20-19-13-9-8-12-18(19)15-22-21(20)17-10-6-5-7-11-17/h5-13,15H,2-4,14H2,1H3