8-(4-methylphenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline-5-carbonitrile

Systemtic Name: 8-(4-methylphenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline-5-carbonitrile Openeye Name: 8-(p-tolyl)-6-[4-(2-pyridyl)piperazin-1-yl]-1,2,3,4-tetrahydroisoquinoline-5-carbonitrile CAS Name: 8-(4-methylphenyl)-6-[4-(2-pyridinyl)-1-piperazinyl]-1,2,3,4-tetrahydroisoquinoline-5-carbonitrile IUPAC Name: 8-(4-methylphenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline-5-carbonitrile Traditional Name: 8-(p-tolyl)-6-[4-(2-pyridyl)piperazino]-1,2,3,4-tetrahydroisoquinoline-5-carbonitrile Formula: C26H27N5 MolecularWeight: 409.52608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=C(C3=C2CNCC3)C#N)N4CCN(CC4)C5=CC=CC=N5

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=C(C3=C2CNCC3)C#N)N4CCN(CC4)C5=CC=CC=N5

InChI

InChI=1S/C26H27N5/c1-19-5-7-20(8-6-19)22-16-25(23(17-27)21-9-11-28-18-24(21)22)30-12-14-31(15-13-30)26-4-2-3-10-29-26/h2-8,10,16,28H,9,11-15,18H2,1H3