3-butyl-1-(phenylmethyl)isoquinoline

Systemtic Name: 3-butyl-1-(phenylmethyl)isoquinoline Openeye Name: 1-benzyl-3-butyl-isoquinoline CAS Name: 3-butyl-1-(phenylmethyl)isoquinoline IUPAC Name: 1-benzyl-3-butylisoquinoline Traditional Name: 1-benzyl-3-butyl-isoquinoline Formula: C20H21N MolecularWeight: 275.38744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=CC=CC=C2C(=N1)CC3=CC=CC=C3

Isomeric SMILES

CCCCC1=CC2=CC=CC=C2C(=N1)CC3=CC=CC=C3

InChI

InChI=1S/C20H21N/c1-2-3-12-18-15-17-11-7-8-13-19(17)20(21-18)14-16-9-5-4-6-10-16/h4-11,13,15H,2-3,12,14H2,1H3