1-[4-[(4-methylphenyl)methyl]piperazin-1-yl]isoquinoline

Systemtic Name: 1-[4-[(4-methylphenyl)methyl]piperazin-1-yl]isoquinoline Openeye Name: 1-[4-(p-tolylmethyl)piperazin-1-yl]isoquinoline CAS Name: 1-[4-[(4-methylphenyl)methyl]-1-piperazinyl]isoquinoline IUPAC Name: 1-[4-[(4-methylphenyl)methyl]piperazin-1-yl]isoquinoline Traditional Name: 1-[4-(4-methylbenzyl)piperazino]isoquinoline Formula: C21H23N3 MolecularWeight: 317.42742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCN(CC2)C3=NC=CC4=CC=CC=C43

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCN(CC2)C3=NC=CC4=CC=CC=C43

InChI

InChI=1S/C21H23N3/c1-17-6-8-18(9-7-17)16-23-12-14-24(15-13-23)21-20-5-3-2-4-19(20)10-11-22-21/h2-11H,12-16H2,1H3