6-[(2-methylphenyl)-piperazin-1-yl-methyl]isoquinoline

Systemtic Name: 6-[(2-methylphenyl)-piperazin-1-yl-methyl]isoquinoline Openeye Name: 6-[o-tolyl(piperazin-1-yl)methyl]isoquinoline CAS Name: 6-[(2-methylphenyl)-(1-piperazinyl)methyl]isoquinoline IUPAC Name: 6-[(2-methylphenyl)-piperazin-1-ylmethyl]isoquinoline Traditional Name: 6-[o-tolyl(piperazino)methyl]isoquinoline Formula: C21H23N3 MolecularWeight: 317.42742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C2=CC3=C(C=C2)C=NC=C3)N4CCNCC4

Isomeric SMILES

CC1=CC=CC=C1C(C2=CC3=C(C=C2)C=NC=C3)N4CCNCC4

InChI

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