1-[4-[1-phenyl-6-(phenylmethyl)pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl]heptan-1-one

Systemtic Name: 1-[4-[1-phenyl-6-(phenylmethyl)pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl]heptan-1-one Openeye Name: 1-[4-(6-benzyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]heptan-1-one CAS Name: 1-[4-[1-phenyl-6-(phenylmethyl)-4-pyrazolo[3,4-d]pyrimidinyl]-1-piperazinyl]-1-heptanone IUPAC Name: 1-[4-(6-benzyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]heptan-1-one Traditional Name: 1-[4-(6-benzyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazino]heptan-1-one Formula: C29H34N6O MolecularWeight: 482.61986

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)N1CCN(CC1)C2=NC(=NC3=C2C=NN3C4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

CCCCCCC(=O)N1CCN(CC1)C2=NC(=NC3=C2C=NN3C4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C29H34N6O/c1-2-3-4-11-16-27(36)33-17-19-34(20-18-33)28-25-22-30-35(24-14-9-6-10-15-24)29(25)32-26(31-28)21-23-12-7-5-8-13-23/h5-10,12-15,22H,2-4,11,16-21H2,1H3