3-[phenyl-[4-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 3-[phenyl-[4-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[phenyl-[4-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]benzonitrile CAS Name: 3-[phenyl-[4-(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]methyl]benzonitrile IUPAC Name: 3-[phenyl-[4-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 3-[phenyl-[4-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)piperazino]methyl]benzonitrile Formula: C29H25N7 MolecularWeight: 471.5557

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=NC3=C2C=NN3C4=CC=CC=C4)C(C5=CC=CC=C5)C6=CC=CC(=C6)C#N

Isomeric SMILES

C1CN(CCN1C2=NC=NC3=C2C=NN3C4=CC=CC=C4)C(C5=CC=CC=C5)C6=CC=CC(=C6)C#N

InChI

InChI=1S/C29H25N7/c30-19-22-8-7-11-24(18-22)27(23-9-3-1-4-10-23)34-14-16-35(17-15-34)28-26-20-33-36(29(26)32-21-31-28)25-12-5-2-6-13-25/h1-13,18,20-21,27H,14-17H2