6-[(3-methylphenyl)-piperazin-1-yl-methyl]isoquinoline

Systemtic Name: 6-[(3-methylphenyl)-piperazin-1-yl-methyl]isoquinoline Openeye Name: 6-[m-tolyl(piperazin-1-yl)methyl]isoquinoline CAS Name: 6-[(3-methylphenyl)-(1-piperazinyl)methyl]isoquinoline IUPAC Name: 6-[(3-methylphenyl)-piperazin-1-ylmethyl]isoquinoline Traditional Name: 6-[m-tolyl(piperazino)methyl]isoquinoline Formula: C21H23N3 MolecularWeight: 317.42742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C(C2=CC3=C(C=C2)C=NC=C3)N4CCNCC4

Isomeric SMILES

CC1=CC(=CC=C1)C(C2=CC3=C(C=C2)C=NC=C3)N4CCNCC4

InChI

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