6-[(4-methylphenyl)-piperazin-1-yl-methyl]isoquinoline

Systemtic Name: 6-[(4-methylphenyl)-piperazin-1-yl-methyl]isoquinoline Openeye Name: 6-[piperazin-1-yl(p-tolyl)methyl]isoquinoline CAS Name: 6-[(4-methylphenyl)-(1-piperazinyl)methyl]isoquinoline IUPAC Name: 6-[(4-methylphenyl)-piperazin-1-ylmethyl]isoquinoline Traditional Name: 6-[piperazino(p-tolyl)methyl]isoquinoline Formula: C21H23N3 MolecularWeight: 317.42742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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