4-[4-[(2-methylphenyl)-phenyl-methyl]piperazin-1-yl]-1-phenyl-pyrazolo[3,4-d]pyrimidine

Systemtic Name: 4-[4-[(2-methylphenyl)-phenyl-methyl]piperazin-1-yl]-1-phenyl-pyrazolo[3,4-d]pyrimidine Openeye Name: 4-[4-[o-tolyl(phenyl)methyl]piperazin-1-yl]-1-phenyl-pyrazolo[3,4-d]pyrimidine CAS Name: 4-[4-[(2-methylphenyl)-phenylmethyl]-1-piperazinyl]-1-phenylpyrazolo[3,4-d]pyrimidine IUPAC Name: 4-[4-[(2-methylphenyl)-phenylmethyl]piperazin-1-yl]-1-phenylpyrazolo[3,4-d]pyrimidine Traditional Name: 4-[4-[o-tolyl(phenyl)methyl]piperazino]-1-phenyl-pyrazolo[3,4-d]pyrimidine Formula: C29H28N6 MolecularWeight: 460.57282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C2=CC=CC=C2)N3CCN(CC3)C4=NC=NC5=C4C=NN5C6=CC=CC=C6

Isomeric SMILES

CC1=CC=CC=C1C(C2=CC=CC=C2)N3CCN(CC3)C4=NC=NC5=C4C=NN5C6=CC=CC=C6

InChI

InChI=1S/C29H28N6/c1-22-10-8-9-15-25(22)27(23-11-4-2-5-12-23)33-16-18-34(19-17-33)28-26-20-32-35(29(26)31-21-30-28)24-13-6-3-7-14-24/h2-15,20-21,27H,16-19H2,1H3